Friday, March 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C19H23N3O5S
MOLECULAR WEIGHT: 405.46802
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)NC(=O)NC(C)(C)C
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Product OPENEYE NAME: [(1R)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2R)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C18H21N3O6
MOLECULAR WEIGHT: 375.37584
SMILES: C[C@H](C(=O)NC(=O)NC(C)C)OC(=O)C1=CC=C(C=C1)N2C(=O)CCC2=O
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Product OPENEYE NAME: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester
IUPAC NAME: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C19H15N3O4S2
MOLECULAR WEIGHT: 413.4701
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC3=CC(=O)N4C=CSC4=N3
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Product OPENEYE NAME: [(1R)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C22H22N2O4S
MOLECULAR WEIGHT: 410.48608
SMILES: CC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)C2=CC=CC=C2OCC3=CSC(=N3)C
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Product OPENEYE NAME: [2-(4-acetamidophenyl)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-acetamidophenyl)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H22N2O5
MOLECULAR WEIGHT: 394.42048
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)C
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Product OPENEYE NAME: [2-oxo-2-(propylamino)ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-(propylamino)ethyl] ester
IUPAC NAME: [2-oxo-2-(propylamino)ethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-(propylamino)ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C17H22N2O4
MOLECULAR WEIGHT: 318.36758
SMILES: CCCNC(=O)COC(=O)C1=C(N(C(=C1)C)CC2=CC=CO2)C
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Product OPENEYE NAME: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C22H22N2O4S
MOLECULAR WEIGHT: 410.48608
SMILES: CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC=CC=C2OCC3=CSC(=N3)C
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Product OPENEYE NAME: [2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[(2R)-2-methyl-1-piperidinyl]-2-oxoethyl] ester
IUPAC NAME: [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(2R)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C20H26N2O4
MOLECULAR WEIGHT: 358.43144
SMILES: C[C@@H]1CCCCN1C(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: [(1S)-2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2S)-1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2S)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C20H23N3O6
MOLECULAR WEIGHT: 401.41312
SMILES: C[C@@H](C(=O)NC(=O)NC1CCCC1)OC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester
IUPAC NAME: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H17N3O4S
MOLECULAR WEIGHT: 407.44238
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC3=NN=C(O3)C4=CC=CC=C4
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Product OPENEYE NAME: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester
IUPAC NAME: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C20H26N2O4
MOLECULAR WEIGHT: 358.43144
SMILES: C[C@H]1CCCCN1C(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H28N2O4
MOLECULAR WEIGHT: 372.45802
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: [2-(2,5-difluorophenyl)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(2,5-difluorophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(2,5-difluorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C20H15F2NO4S
MOLECULAR WEIGHT: 403.399206
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)C3=C(C=CC(=C3)F)F
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Product OPENEYE NAME: [2-oxo-2-(propylamino)ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-oxo-2-(propylamino)ethyl] ester
IUPAC NAME: [2-oxo-2-(propylamino)ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-oxidanylidene-2-(propylamino)ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C17H20N2O4S
MOLECULAR WEIGHT: 348.4167
SMILES: CCCNC(=O)COC(=O)C1=CC=CC=C1OCC2=CSC(=N2)C
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Product OPENEYE NAME: [(1R)-2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2R)-1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C20H23N3O6
MOLECULAR WEIGHT: 401.41312
SMILES: C[C@H](C(=O)NC(=O)NC1CCCC1)OC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H26N2O4S
MOLECULAR WEIGHT: 402.50714
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC=CC=C2OCC3=CSC(=N3)C
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Product OPENEYE NAME: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H28N2O4
MOLECULAR WEIGHT: 372.45802
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H26N2O4S
MOLECULAR WEIGHT: 402.50714
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC=CC=C2OCC3=CSC(=N3)C
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Product OPENEYE NAME: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H26N2O4S
MOLECULAR WEIGHT: 402.50714
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC=CC=C2OCC3=CSC(=N3)C
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Product OPENEYE NAME: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H28N2O4
MOLECULAR WEIGHT: 372.45802
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester
IUPAC NAME: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C18H13N3O5S
MOLECULAR WEIGHT: 383.37792
SMILES: C1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4
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Product OPENEYE NAME: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H28N2O4
MOLECULAR WEIGHT: 372.45802
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H26N2O4S
MOLECULAR WEIGHT: 402.50714
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC=CC=C2OCC3=CSC(=N3)C
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Product OPENEYE NAME: [(1S)-1-(3-nitrophenyl)ethyl] 5-nitrobenzothiophene-2-carboxylate
CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(1S)-1-(3-nitrophenyl)ethyl] ester
IUPAC NAME: [(1S)-1-(3-nitrophenyl)ethyl] 5-nitro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [(1S)-1-(3-nitrophenyl)ethyl] 5-nitro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C17H12N2O6S
MOLECULAR WEIGHT: 372.35198
SMILES: C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
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