Product OPENEYE NAME: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester
IUPAC NAME: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2H-chromene-3-carboxylate
SYSTEMATIC NAME: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H15ClO5
MOLECULAR WEIGHT: 358.7724
SMILES: C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=CC=CC=C4OC3)Cl
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Product OPENEYE NAME: 4-(1,3-dithiolan-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CAS Name: 4-(1,3-dithiolan-2-yl)-N-[2-[(2-fluorophenyl)methylthio]ethyl]benzamide
IUPAC NAME: 4-(1,3-dithiolan-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
SYSTEMATIC NAME: 4-(1,3-dithiolan-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
MOLECULAR FORMULA: C19H20FNOS3
MOLECULAR WEIGHT: 393.561603
SMILES: C1CSC(S1)C2=CC=C(C=C2)C(=O)NCCSCC3=CC=CC=C3F
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Product OPENEYE NAME: 1-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-3-ethyl-thiourea
CAS Name: 1-ethyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]thiourea
IUPAC NAME: 1-ethyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiourea
SYSTEMATIC NAME: 1-ethyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]thiourea
MOLECULAR FORMULA: C16H19N3O2S2
MOLECULAR WEIGHT: 349.47096
SMILES: CCNC(=S)NCCN1C(=O)/C(=C/C2=CC=C(C=C2)C)/SC1=O
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetate
CAS Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate
MOLECULAR FORMULA: C21H27N3O5
MOLECULAR WEIGHT: 401.45618
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)OC(=O)COC2=CC=CC3=C2OC(C3)(C)C
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-isobutyl-acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methylpropyl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide
MOLECULAR FORMULA: C16H25ClN3O3S+
MOLECULAR WEIGHT: 374.906
SMILES: CC(C)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-isobutyl-acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-(2-methylpropyl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)ethanamide
MOLECULAR FORMULA: C16H24ClN3O3S
MOLECULAR WEIGHT: 373.89806
SMILES: CC(C)CNC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester
IUPAC NAME: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2H-chromene-3-carboxylate
SYSTEMATIC NAME: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H15NO7
MOLECULAR WEIGHT: 369.3249
SMILES: C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=CC=CC=C4OC3)[N+](=O)[O-]
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CAS Name: N-(3,4-dimethylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
IUPAC NAME: N-(3,4-dimethylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
MOLECULAR FORMULA: C15H15N5O
MOLECULAR WEIGHT: 281.3125
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=NN3C(=CC=NC3=N2)C)C
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Product OPENEYE NAME: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-ethyl-[(3-fluorophenyl)methyl]ammonium
CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-ethyl-[(3-fluorophenyl)methyl]ammonium
IUPAC NAME: (6,7-dimethyl-2-oxochromen-4-yl)methyl-ethyl-[(3-fluorophenyl)methyl]azanium
SYSTEMATIC NAME: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-ethyl-[(3-fluorophenyl)methyl]azanium
MOLECULAR FORMULA: C21H23FNO2+
MOLECULAR WEIGHT: 340.411223
SMILES: CC[NH+](CC1=CC(=CC=C1)F)CC2=CC(=O)OC3=CC(=C(C=C23)C)C
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Product OPENEYE NAME: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-6,7-dimethyl-chromen-2-one
CAS Name: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-6,7-dimethyl-1-benzopyran-2-one
IUPAC NAME: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-6,7-dimethylchromen-2-one
SYSTEMATIC NAME: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-6,7-dimethyl-chromen-2-one
MOLECULAR FORMULA: C21H22FNO2
MOLECULAR WEIGHT: 339.403283
SMILES: CCN(CC1=CC(=CC=C1)F)CC2=CC(=O)OC3=CC(=C(C=C23)C)C
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-pentan-3-ylacetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-ylacetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-pentan-3-yl-ethanamide
MOLECULAR FORMULA: C17H27ClN3O3S+
MOLECULAR WEIGHT: 388.93258
SMILES: CCC(CC)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(1-ethylpropyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-pentan-3-ylacetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-ylacetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-pentan-3-yl-ethanamide
MOLECULAR FORMULA: C17H26ClN3O3S
MOLECULAR WEIGHT: 387.92464
SMILES: CCC(CC)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [(1S)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: C[C@@H](C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-(3,4-dimethylphenyl)acetamide
IUPAC NAME: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(3,4-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C18H19N3OS
MOLECULAR WEIGHT: 325.42796
SMILES: CC1=C(C=C(C=C1)NC(=O)CSCC2=NC3=CC=CC=C3N2)C
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Product OPENEYE NAME: ethyl-[(3-fluorophenyl)methyl]-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]ammonium
CAS Name: ethyl-[(3-fluorophenyl)methyl]-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium
IUPAC NAME: ethyl-[(3-fluorophenyl)methyl]-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]azanium
SYSTEMATIC NAME: ethyl-[(3-fluorophenyl)methyl]-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium
MOLECULAR FORMULA: C20H21FNO3+
MOLECULAR WEIGHT: 342.384043
SMILES: CC[NH+](CC1=CC(=CC=C1)F)CC2=CC(=O)OC3=C2C=CC(=C3C)O
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Product OPENEYE NAME: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-hydroxy-8-methyl-chromen-2-one
CAS Name: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one
IUPAC NAME: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-7-hydroxy-8-methylchromen-2-one
SYSTEMATIC NAME: 4-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C20H20FNO3
MOLECULAR WEIGHT: 341.376103
SMILES: CCN(CC1=CC(=CC=C1)F)CC2=CC(=O)OC3=C2C=CC(=C3C)O
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Product OPENEYE NAME: 1-cyclohexyl-3-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]thiourea
CAS Name: 1-cyclohexyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]thiourea
IUPAC NAME: 1-cyclohexyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiourea
SYSTEMATIC NAME: 1-cyclohexyl-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]thiourea
MOLECULAR FORMULA: C20H25N3O2S2
MOLECULAR WEIGHT: 403.5614
SMILES: CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=S)NC3CCCCC3
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Product OPENEYE NAME: 4-chloro-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(methylsulfamoyl)benzamide
CAS Name: 4-chloro-N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-(methylsulfamoyl)benzamide
IUPAC NAME: 4-chloro-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(methylsulfamoyl)benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(methylsulfamoyl)benzamide
MOLECULAR FORMULA: C17H18ClFN2O3S2
MOLECULAR WEIGHT: 416.917823
SMILES: CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)NCCSCC2=CC=CC=C2F)Cl
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetate
CAS Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate
MOLECULAR FORMULA: C21H27N3O5
MOLECULAR WEIGHT: 401.45618
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)COC2=CC=CC3=C2OC(C3)(C)C
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxo-ethoxy]-3-methoxy-benzamide
CAS Name: N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
IUPAC NAME: N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-benzamide
MOLECULAR FORMULA: C24H23FN2O4
MOLECULAR WEIGHT: 422.448823
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F)OC)C
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-methylbutyl]acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2R)-pentan-2-yl]acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-pentan-2-yl]acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-pentan-2-yl]ethanamide
MOLECULAR FORMULA: C17H27ClN3O3S+
MOLECULAR WEIGHT: 388.93258
SMILES: CCC[C@@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl
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