Product OPENEYE NAME: ethyl (4S)-2,7,7-trimethyl-4-(5-methyl-4-nitro-2-thienyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CAS Name: (4S)-2,7,7-trimethyl-4-(5-methyl-4-nitro-2-thiophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-2,7,7-trimethyl-4-(5-methyl-4-nitrothiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl (4S)-2,7,7-trimethyl-4-(5-methyl-4-nitro-thiophen-2-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate
MOLECULAR FORMULA: C20H24N2O5S
MOLECULAR WEIGHT: 404.47996
SMILES: CCOC(=O)C1=C(NC2=C([C@@H]1C3=CC(=C(S3)C)[N+](=O)[O-])C(=O)CC(C2)(C)C)C
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Product OPENEYE NAME: methyl (4S)-4-(4-bromo-5-methyl-2-thienyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4S)-4-(4-bromo-5-methyl-2-thiophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S)-4-(4-bromo-5-methylthiophen-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl (4S)-4-(4-bromanyl-5-methyl-thiophen-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C17H18BrNO3S
MOLECULAR WEIGHT: 396.29872
SMILES: CC1=C([C@H](C2=C(N1)CCCC2=O)C3=CC(=C(S3)C)Br)C(=O)OC
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Product OPENEYE NAME: methyl (4R)-4-(4-bromo-5-methyl-2-thienyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4R)-4-(4-bromo-5-methyl-2-thiophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-4-(4-bromo-5-methylthiophen-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-4-(4-bromanyl-5-methyl-thiophen-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C17H18BrNO3S
MOLECULAR WEIGHT: 396.29872
SMILES: CC1=C([C@@H](C2=C(N1)CCCC2=O)C3=CC(=C(S3)C)Br)C(=O)OC
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Product OPENEYE NAME: methyl (4S)-2-methyl-4-(5-methyl-4-nitro-2-thienyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4S)-2-methyl-4-(5-methyl-4-nitro-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S)-2-methyl-4-(5-methyl-4-nitrothiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl (4S)-2-methyl-4-(5-methyl-4-nitro-thiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C17H18N2O5S
MOLECULAR WEIGHT: 362.40022
SMILES: CC1=C([C@H](C2=C(N1)CCCC2=O)C3=CC(=C(S3)C)[N+](=O)[O-])C(=O)OC
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Product OPENEYE NAME: methyl (4R)-2-methyl-4-(5-methyl-4-nitro-2-thienyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4R)-2-methyl-4-(5-methyl-4-nitro-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-2-methyl-4-(5-methyl-4-nitrothiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-2-methyl-4-(5-methyl-4-nitro-thiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C17H18N2O5S
MOLECULAR WEIGHT: 362.40022
SMILES: CC1=C([C@@H](C2=C(N1)CCCC2=O)C3=CC(=C(S3)C)[N+](=O)[O-])C(=O)OC
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Product OPENEYE NAME: ethyl (4R)-4-(4-bromo-5-methyl-2-thienyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4R)-4-(4-bromo-5-methyl-2-thiophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-4-(4-bromo-5-methylthiophen-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl (4R)-4-(4-bromanyl-5-methyl-thiophen-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C18H20BrNO3S
MOLECULAR WEIGHT: 410.3253
SMILES: CCOC(=O)C1=C(NC2=C([C@H]1C3=CC(=C(S3)C)Br)C(=O)CCC2)C
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Product OPENEYE NAME: ethyl (4S)-4-(4-bromo-5-methyl-2-thienyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4S)-4-(4-bromo-5-methyl-2-thiophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-4-(4-bromo-5-methylthiophen-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl (4S)-4-(4-bromanyl-5-methyl-thiophen-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C18H20BrNO3S
MOLECULAR WEIGHT: 410.3253
SMILES: CCOC(=O)C1=C(NC2=C([C@@H]1C3=CC(=C(S3)C)Br)C(=O)CCC2)C
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Product OPENEYE NAME: ethyl (4R)-2-amino-4-(4-bromo-5-methyl-2-thienyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CAS Name: (4R)-2-amino-4-(4-bromo-5-methyl-2-thiophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-2-amino-4-(4-bromo-5-methylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
SYSTEMATIC NAME: ethyl (4R)-2-azanyl-4-(4-bromanyl-5-methyl-thiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H22BrNO4S
MOLECULAR WEIGHT: 440.35128
SMILES: CCOC(=O)C1=C(OC2=C([C@H]1C3=CC(=C(S3)C)Br)C(=O)CC(C2)(C)C)N
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Product OPENEYE NAME: ethyl (4S)-2-amino-4-(4-bromo-5-methyl-2-thienyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CAS Name: (4S)-2-amino-4-(4-bromo-5-methyl-2-thiophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-2-amino-4-(4-bromo-5-methylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
SYSTEMATIC NAME: ethyl (4S)-2-azanyl-4-(4-bromanyl-5-methyl-thiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H22BrNO4S
MOLECULAR WEIGHT: 440.35128
SMILES: CCOC(=O)C1=C(OC2=C([C@@H]1C3=CC(=C(S3)C)Br)C(=O)CC(C2)(C)C)N
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Product OPENEYE NAME: ethyl (4R)-2-amino-4-(4-bromo-5-methyl-2-thienyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CAS Name: (4R)-2-amino-4-(4-bromo-5-methyl-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-2-amino-4-(4-bromo-5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
SYSTEMATIC NAME: ethyl (4R)-2-azanyl-4-(4-bromanyl-5-methyl-thiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate
MOLECULAR FORMULA: C17H18BrNO4S
MOLECULAR WEIGHT: 412.29812
SMILES: CCOC(=O)C1=C(OC2=C([C@H]1C3=CC(=C(S3)C)Br)C(=O)CCC2)N
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Product OPENEYE NAME: ethyl (4S)-2-amino-4-(4-bromo-5-methyl-2-thienyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CAS Name: (4S)-2-amino-4-(4-bromo-5-methyl-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-2-amino-4-(4-bromo-5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
SYSTEMATIC NAME: ethyl (4S)-2-azanyl-4-(4-bromanyl-5-methyl-thiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate
MOLECULAR FORMULA: C17H18BrNO4S
MOLECULAR WEIGHT: 412.29812
SMILES: CCOC(=O)C1=C(OC2=C([C@@H]1C3=CC(=C(S3)C)Br)C(=O)CCC2)N
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Product OPENEYE NAME: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CAS Name: 2-amino-4-(4-bromo-5-ethyl-2-thiophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
IUPAC NAME: 2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
MOLECULAR FORMULA: C17H18BrN3S
MOLECULAR WEIGHT: 376.31392
SMILES: CCC1=C(C=C(S1)C2=C(C(=NC3=C2CCCCC3)N)C#N)Br
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Product OPENEYE NAME: 2-amino-4-(4-bromo-5-methyl-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CAS Name: 2-amino-4-(4-bromo-5-methyl-2-thiophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
IUPAC NAME: 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(4-bromanyl-5-methyl-thiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
MOLECULAR FORMULA: C16H16BrN3S
MOLECULAR WEIGHT: 362.28734
SMILES: CC1=C(C=C(S1)C2=C(C(=NC3=C2CCCCC3)N)C#N)Br
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Product OPENEYE NAME: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CAS Name: 2-amino-4-(4-bromo-5-ethyl-2-thiophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
IUPAC NAME: 2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
MOLECULAR FORMULA: C18H20BrN3S
MOLECULAR WEIGHT: 390.3405
SMILES: CCC1=C(C=C(S1)C2=C(C(=NC3=C2CCCCCC3)N)C#N)Br
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Product OPENEYE NAME: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-chloro-benzothiophene-2-carboxamide
CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
IUPAC NAME: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-chloranyl-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C18H10ClN3O3S2
MOLECULAR WEIGHT: 415.8733
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NN=C(S3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl
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Product OPENEYE NAME: N-(3,4-dichlorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide
CAS Name: N-(3,4-dichlorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide
IUPAC NAME: N-(3,4-dichlorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide
MOLECULAR FORMULA: C13H9Cl2N3O2S2
MOLECULAR WEIGHT: 374.26546
SMILES: CC1=C(C2=NSN=C2C=C1)S(=O)(=O)NC3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: [(2R,3R,4S,5S,6S)-5-acetamido-3,4-diacetoxy-6-benzyloxy-tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5S,6S)-5-acetamido-3,4-diacetyloxy-6-phenylmethoxy-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5S,6S)-5-acetamido-3,4-diacetyloxy-6-phenylmethoxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5S,6S)-5-acetamido-3,4-diacetyloxy-6-phenylmethoxy-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C21H27NO9
MOLECULAR WEIGHT: 437.44038
SMILES: CC(=O)N[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3R,4S,5S,6S)-5-acetamido-3,4-diacetoxy-6-[(3-bromophenyl)methoxy]tetrahydropyran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3R,4S,5S,6S)-5-acetamido-3,4-diacetyloxy-6-[(3-bromophenyl)methoxy]-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3R,4S,5S,6S)-5-acetamido-3,4-diacetyloxy-6-[(3-bromophenyl)methoxy]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5S,6S)-5-acetamido-3,4-diacetyloxy-6-[(3-bromophenyl)methoxy]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C21H26BrNO9
MOLECULAR WEIGHT: 516.33644
SMILES: CC(=O)N[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1OCC2=CC(=CC=C2)Br)COC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: cyclohexyl (4S,7R)-2-methyl-5-oxo-7-phenyl-4-(4-pyridyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4S,7R)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid cyclohexyl ester
IUPAC NAME: cyclohexyl (4S,7R)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: cyclohexyl (4S,7R)-2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C28H30N2O3
MOLECULAR WEIGHT: 442.5494
SMILES: CC1=C([C@H](C2=C(N1)C[C@H](CC2=O)C3=CC=CC=C3)C4=CC=NC=C4)C(=O)OC5CCCCC5
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Product OPENEYE NAME: cyclohexyl (4R,7R)-2-methyl-5-oxo-7-phenyl-4-(4-pyridyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4R,7R)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid cyclohexyl ester
IUPAC NAME: cyclohexyl (4R,7R)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: cyclohexyl (4R,7R)-2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C28H30N2O3
MOLECULAR WEIGHT: 442.5494
SMILES: CC1=C([C@@H](C2=C(N1)C[C@H](CC2=O)C3=CC=CC=C3)C4=CC=NC=C4)C(=O)OC5CCCCC5
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Product OPENEYE NAME: cyclohexyl (4S,7S)-2-methyl-5-oxo-7-phenyl-4-(4-pyridyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4S,7S)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid cyclohexyl ester
IUPAC NAME: cyclohexyl (4S,7S)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: cyclohexyl (4S,7S)-2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C28H30N2O3
MOLECULAR WEIGHT: 442.5494
SMILES: CC1=C([C@H](C2=C(N1)C[C@@H](CC2=O)C3=CC=CC=C3)C4=CC=NC=C4)C(=O)OC5CCCCC5
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