Friday, January 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 3-[2-(isopropylamino)-2-oxo-ethoxy]naphthalene-2-carboxylate
CAS Name: 3-[2-oxo-2-(propan-2-ylamino)ethoxy]-2-naphthalenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[2-oxo-2-(propan-2-ylamino)ethoxy]naphthalene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]naphthalene-2-carboxylate
MOLECULAR FORMULA: C17H19NO4
MOLECULAR WEIGHT: 301.33706
SMILES: CC(C)NC(=O)COC1=CC2=CC=CC=C2C=C1C(=O)OC
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Product OPENEYE NAME: methyl 3-[2-(2-methoxyethylamino)-2-oxo-ethoxy]naphthalene-2-carboxylate
CAS Name: 3-[2-(2-methoxyethylamino)-2-oxoethoxy]-2-naphthalenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[2-(2-methoxyethylamino)-2-oxidanylidene-ethoxy]naphthalene-2-carboxylate
MOLECULAR FORMULA: C17H19NO5
MOLECULAR WEIGHT: 317.33646
SMILES: COCCNC(=O)COC1=CC2=CC=CC=C2C=C1C(=O)OC
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Product OPENEYE NAME: methyl 3-[2-(cyclopropylamino)-2-oxo-ethoxy]naphthalene-2-carboxylate
CAS Name: 3-[2-(cyclopropylamino)-2-oxoethoxy]-2-naphthalenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[2-(cyclopropylamino)-2-oxoethoxy]naphthalene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[2-(cyclopropylamino)-2-oxidanylidene-ethoxy]naphthalene-2-carboxylate
MOLECULAR FORMULA: C17H17NO4
MOLECULAR WEIGHT: 299.32118
SMILES: COC(=O)C1=CC2=CC=CC=C2C=C1OCC(=O)NC3CC3
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Product OPENEYE NAME: methyl 3-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethoxy]naphthalene-2-carboxylate
CAS Name: 3-[2-oxo-2-(2-oxolanylmethylamino)ethoxy]-2-naphthalenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]naphthalene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethoxy]naphthalene-2-carboxylate
MOLECULAR FORMULA: C19H21NO5
MOLECULAR WEIGHT: 343.37374
SMILES: COC(=O)C1=CC2=CC=CC=C2C=C1OCC(=O)NCC3CCCO3
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Product OPENEYE NAME: methyl 3-(2-oxo-2-pyrrolidin-1-yl-ethoxy)naphthalene-2-carboxylate
CAS Name: 3-[2-oxo-2-(1-pyrrolidinyl)ethoxy]-2-naphthalenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)naphthalene-2-carboxylate
SYSTEMATIC NAME: methyl 3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)naphthalene-2-carboxylate
MOLECULAR FORMULA: C18H19NO4
MOLECULAR WEIGHT: 313.34776
SMILES: COC(=O)C1=CC2=CC=CC=C2C=C1OCC(=O)N3CCCC3
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Product OPENEYE NAME: 2-[[5-(2-oxotetrahydrofuran-3-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CAS Name: 2-[[5-[(2-oxo-3-oxolanyl)thio]-1,3,4-thiadiazol-2-yl]thio]acetamide
IUPAC NAME: 2-[[5-(2-oxooxolan-3-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SYSTEMATIC NAME: 2-[[5-(2-oxidanylideneoxolan-3-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C8H9N3O3S3
MOLECULAR WEIGHT: 291.37036
SMILES: C1COC(=O)C1SC2=NN=C(S2)SCC(=O)N
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Product OPENEYE NAME: 4-benzyl-3-methyl-5-(2-methylallylsulfanyl)-1,2,4-triazole
CAS Name: 3-methyl-5-(2-methylprop-2-enylthio)-4-(phenylmethyl)-1,2,4-triazole
IUPAC NAME: 4-benzyl-3-methyl-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazole
SYSTEMATIC NAME: 3-methyl-5-(2-methylprop-2-enylsulfanyl)-4-(phenylmethyl)-1,2,4-triazole
MOLECULAR FORMULA: C14H17N3S
MOLECULAR WEIGHT: 259.36988
SMILES: CC1=NN=C(N1CC2=CC=CC=C2)SCC(=C)C
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Product OPENEYE NAME: 4-benzyl-3-methyl-5-propylsulfanyl-1,2,4-triazole
CAS Name: 3-methyl-4-(phenylmethyl)-5-(propylthio)-1,2,4-triazole
IUPAC NAME: 4-benzyl-3-methyl-5-propylsulfanyl-1,2,4-triazole
SYSTEMATIC NAME: 3-methyl-4-(phenylmethyl)-5-propylsulfanyl-1,2,4-triazole
MOLECULAR FORMULA: C13H17N3S
MOLECULAR WEIGHT: 247.35918
SMILES: CCCSC1=NN=C(N1CC2=CC=CC=C2)C
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Product OPENEYE NAME: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-acetamide
CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide
IUPAC NAME: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
SYSTEMATIC NAME: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide
MOLECULAR FORMULA: C18H24N4OS
MOLECULAR WEIGHT: 344.47436
SMILES: CCN(CC)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CC3
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Product OPENEYE NAME: 4-[[5-cyclopropyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-isoxazole
CAS Name: 4-[[[5-cyclopropyl-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-3,5-dimethylisoxazole
IUPAC NAME: 4-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SYSTEMATIC NAME: 4-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
MOLECULAR FORMULA: C16H18N4O2S
MOLECULAR WEIGHT: 330.40472
SMILES: CC1=C(C(=NO1)C)CSC2=NN=C(N2CC3=CC=CO3)C4CC4
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Product OPENEYE NAME: 3-cyclopropyl-4-(2-furylmethyl)-5-(2-methylallylsulfanyl)-1,2,4-triazole
CAS Name: 3-cyclopropyl-4-(2-furanylmethyl)-5-(2-methylprop-2-enylthio)-1,2,4-triazole
IUPAC NAME: 3-cyclopropyl-4-(furan-2-ylmethyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazole
SYSTEMATIC NAME: 3-cyclopropyl-4-(furan-2-ylmethyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazole
MOLECULAR FORMULA: C14H17N3OS
MOLECULAR WEIGHT: 275.36928
SMILES: CC(=C)CSC1=NN=C(N1CC2=CC=CO2)C3CC3
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Product OPENEYE NAME: 3-cyclopropyl-4-(2-furylmethyl)-5-isopropylsulfanyl-1,2,4-triazole
CAS Name: 3-cyclopropyl-4-(2-furanylmethyl)-5-(propan-2-ylthio)-1,2,4-triazole
IUPAC NAME: 3-cyclopropyl-4-(furan-2-ylmethyl)-5-propan-2-ylsulfanyl-1,2,4-triazole
SYSTEMATIC NAME: 3-cyclopropyl-4-(furan-2-ylmethyl)-5-propan-2-ylsulfanyl-1,2,4-triazole
MOLECULAR FORMULA: C13H17N3OS
MOLECULAR WEIGHT: 263.35858
SMILES: CC(C)SC1=NN=C(N1CC2=CC=CO2)C3CC3
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Product OPENEYE NAME: methyl 2-[[5-cyclopropyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CAS Name: 2-[[5-cyclopropyl-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester
IUPAC NAME: methyl 2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
SYSTEMATIC NAME: methyl 2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C13H15N3O3S
MOLECULAR WEIGHT: 293.3415
SMILES: COC(=O)CSC1=NN=C(N1CC2=CC=CO2)C3CC3
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Product OPENEYE NAME: 3-cyclopropyl-4-(2-furylmethyl)-5-isobutylsulfanyl-1,2,4-triazole
CAS Name: 3-cyclopropyl-4-(2-furanylmethyl)-5-(2-methylpropylthio)-1,2,4-triazole
IUPAC NAME: 3-cyclopropyl-4-(furan-2-ylmethyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole
SYSTEMATIC NAME: 3-cyclopropyl-4-(furan-2-ylmethyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole
MOLECULAR FORMULA: C14H19N3OS
MOLECULAR WEIGHT: 277.38516
SMILES: CC(C)CSC1=NN=C(N1CC2=CC=CO2)C3CC3
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Product OPENEYE NAME: 2-[(4-chlorophenoxy)methyl]-5-ethylsulfanyl-1,3,4-oxadiazole
CAS Name: 2-[(4-chlorophenoxy)methyl]-5-(ethylthio)-1,3,4-oxadiazole
IUPAC NAME: 2-[(4-chlorophenoxy)methyl]-5-ethylsulfanyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[(4-chloranylphenoxy)methyl]-5-ethylsulfanyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C11H11ClN2O2S
MOLECULAR WEIGHT: 270.73524
SMILES: CCSC1=NN=C(O1)COC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-[(4-chlorophenoxy)methyl]-5-isopropylsulfanyl-1,3,4-oxadiazole
CAS Name: 2-[(4-chlorophenoxy)methyl]-5-(propan-2-ylthio)-1,3,4-oxadiazole
IUPAC NAME: 2-[(4-chlorophenoxy)methyl]-5-propan-2-ylsulfanyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[(4-chloranylphenoxy)methyl]-5-propan-2-ylsulfanyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C12H13ClN2O2S
MOLECULAR WEIGHT: 284.76182
SMILES: CC(C)SC1=NN=C(O1)COC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-(2-chloroallylsulfanyl)-5-(2-methyl-3-furyl)-1,3,4-oxadiazole
CAS Name: 2-(2-chloroprop-2-enylthio)-5-(2-methyl-3-furanyl)-1,3,4-oxadiazole
IUPAC NAME: 2-(2-chloroprop-2-enylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(2-chloranylprop-2-enylsulfanyl)-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
MOLECULAR FORMULA: C10H9ClN2O2S
MOLECULAR WEIGHT: 256.70866
SMILES: CC1=C(C=CO1)C2=NN=C(O2)SCC(=C)Cl
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Product OPENEYE NAME: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 5-methylfuran-2-carboxylate
CAS Name: 5-methyl-2-furancarboxylic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate
SYSTEMATIC NAME: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5-methylfuran-2-carboxylate
MOLECULAR FORMULA: C14H15NO5
MOLECULAR WEIGHT: 277.2726
SMILES: CC1=CC=C(O1)C(=O)OC(C)C(=O)NCC2=CC=CO2
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Product OPENEYE NAME: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-carbamoylpiperidine-4-carboxylate
CAS Name: 1-carbamoyl-4-piperidinecarboxylic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester
IUPAC NAME: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-carbamoylpiperidine-4-carboxylate
SYSTEMATIC NAME: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-aminocarbonylpiperidine-4-carboxylate
MOLECULAR FORMULA: C11H16N4O4
MOLECULAR WEIGHT: 268.26914
SMILES: CC1=NN=C(O1)COC(=O)C2CCN(CC2)C(=O)N
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Product OPENEYE NAME: 2-[[5-(2-oxotetrahydrofuran-3-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-acetamide
CAS Name: 2-[[5-[(2-oxo-3-oxolanyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-propylacetamide
IUPAC NAME: 2-[[5-(2-oxooxolan-3-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
SYSTEMATIC NAME: 2-[[5-(2-oxidanylideneoxolan-3-yl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-ethanamide
MOLECULAR FORMULA: C11H15N3O3S3
MOLECULAR WEIGHT: 333.4501
SMILES: CCCNC(=O)CSC1=NN=C(S1)SC2CCOC2=O
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Product OPENEYE NAME: 3-[(E)-cinnamyl]sulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one
CAS Name: 4-(3-methoxypropyl)-3-[[(E)-3-phenylprop-2-enyl]thio]-1H-1,2,4-triazol-5-one
IUPAC NAME: 4-(3-methoxypropyl)-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazol-5-one
SYSTEMATIC NAME: 4-(3-methoxypropyl)-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazol-5-one
MOLECULAR FORMULA: C15H19N3O2S
MOLECULAR WEIGHT: 305.39526
SMILES: COCCCN1C(=O)NN=C1SC/C=C/C2=CC=CC=C2
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