Product OPENEYE NAME: 5-[(2S,3R)-1-(3-chloro-4-cyano-phenyl)-3-hydroxy-2-methyl-pyrrolidin-3-yl]-N-isopropyl-pyridine-2-carboxamide
CAS Name: 5-[(2S,3R)-1-(3-chloro-4-cyanophenyl)-3-hydroxy-2-methyl-3-pyrrolidinyl]-N-propan-2-yl-2-pyridinecarboxamide
IUPAC NAME: 5-[(2S,3R)-1-(3-chloro-4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-propan-2-ylpyridine-2-carboxamide
SYSTEMATIC NAME: 5-[(2S,3R)-1-(3-chloranyl-4-cyano-phenyl)-2-methyl-3-oxidanyl-pyrrolidin-3-yl]-N-propan-2-yl-pyridine-2-carboxamide
MOLECULAR FORMULA: C21H23ClN4O2
MOLECULAR WEIGHT: 398.88592
SMILES: C[C@H]1[C@@](CCN1C2=CC(=C(C=C2)C#N)Cl)(C3=CN=C(C=C3)C(=O)NC(C)C)O
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Product OPENEYE NAME: 5-[(2S,3R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxy-2-methyl-pyrrolidin-3-yl]-N-ethyl-pyridine-2-carboxamide
CAS Name: 5-[(2S,3R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxy-2-methyl-3-pyrrolidinyl]-N-ethyl-2-pyridinecarboxamide
IUPAC NAME: 5-[(2S,3R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxy-2-methylpyrrolidin-3-yl]-N-ethylpyridine-2-carboxamide
SYSTEMATIC NAME: 5-[(2S,3R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-3-oxidanyl-pyrrolidin-3-yl]-N-ethyl-pyridine-2-carboxamide
MOLECULAR FORMULA: C21H21F3N4O2
MOLECULAR WEIGHT: 418.41225
SMILES: CCNC(=O)C1=NC=C(C=C1)[C@@]2(CCN([C@H]2C)C3=CC(=C(C=C3)C#N)C(F)(F)F)O
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Product OPENEYE NAME: 5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methyl-pyrrolidin-3-yl]pyridine-2-carbonitrile
CAS Name: 5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methyl-3-pyrrolidinyl]-2-pyridinecarbonitrile
IUPAC NAME: 5-[(2S,3R)-1-(4-cyanophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]pyridine-2-carbonitrile
SYSTEMATIC NAME: 5-[(2S,3R)-1-(4-cyanophenyl)-2-methyl-3-oxidanyl-pyrrolidin-3-yl]pyridine-2-carbonitrile
MOLECULAR FORMULA: C18H16N4O
MOLECULAR WEIGHT: 304.34584
SMILES: C[C@H]1[C@@](CCN1C2=CC=C(C=C2)C#N)(C3=CN=C(C=C3)C#N)O
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Product OPENEYE NAME: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-3-fluoro-propan-1-amine
CAS Name: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-3-fluoro-1-propanamine
IUPAC NAME: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-3-fluoropropan-1-amine
SYSTEMATIC NAME: N-[[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-3-fluoranyl-propan-1-amine
MOLECULAR FORMULA: C13H17ClFNO4S
MOLECULAR WEIGHT: 337.794783
SMILES: CS(=O)(=O)C1=CC(=C2C(=C1)O[C@H](CO2)CNCCCF)Cl
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Product OPENEYE NAME: 1-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]azetidine
CAS Name: 1-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]azetidine
IUPAC NAME: 1-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]azetidine
SYSTEMATIC NAME: 1-[[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]azetidine
MOLECULAR FORMULA: C13H16ClNO4S
MOLECULAR WEIGHT: 317.78844
SMILES: CS(=O)(=O)C1=CC(=C2C(=C1)O[C@H](CO2)CN3CCC3)Cl
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Product OPENEYE NAME: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-2-methyl-propan-1-amine
CAS Name: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-2-methyl-1-propanamine
IUPAC NAME: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-2-methylpropan-1-amine
SYSTEMATIC NAME: N-[[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-2-methyl-propan-1-amine
MOLECULAR FORMULA: C14H20ClNO4S
MOLECULAR WEIGHT: 333.8309
SMILES: CC(C)CNC[C@H]1COC2=C(C=C(C=C2O1)S(=O)(=O)C)Cl
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Product OPENEYE NAME: 2-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methylamino]ethanol
CAS Name: 2-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methylamino]ethanol
IUPAC NAME: 2-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methylamino]ethanol
SYSTEMATIC NAME: 2-[[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methylamino]ethanol
MOLECULAR FORMULA: C12H16ClNO5S
MOLECULAR WEIGHT: 321.77714
SMILES: CS(=O)(=O)C1=CC(=C2C(=C1)O[C@H](CO2)CNCCO)Cl
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Product OPENEYE NAME: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-2,2-dimethyl-propan-1-amine
CAS Name: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-2,2-dimethyl-1-propanamine
IUPAC NAME: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-2,2-dimethylpropan-1-amine
SYSTEMATIC NAME: N-[[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-2,2-dimethyl-propan-1-amine
MOLECULAR FORMULA: C15H22ClNO4S
MOLECULAR WEIGHT: 347.85748
SMILES: CC(C)(C)CNC[C@H]1COC2=C(C=C(C=C2O1)S(=O)(=O)C)Cl
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Product OPENEYE NAME: 1-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidine
CAS Name: 1-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidine
IUPAC NAME: 1-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidine
SYSTEMATIC NAME: 1-[[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidine
MOLECULAR FORMULA: C15H20ClNO4S
MOLECULAR WEIGHT: 345.8416
SMILES: CS(=O)(=O)C1=CC(=C2C(=C1)O[C@H](CO2)CN3CCCCC3)Cl
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Product OPENEYE NAME: 1-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]pyrrolidine
CAS Name: 1-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]pyrrolidine
IUPAC NAME: 1-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]pyrrolidine
SYSTEMATIC NAME: 1-[[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]pyrrolidine
MOLECULAR FORMULA: C14H18ClNO4S
MOLECULAR WEIGHT: 331.81502
SMILES: CS(=O)(=O)C1=CC(=C2C(=C1)O[C@H](CO2)CN3CCCC3)Cl
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Product OPENEYE NAME: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-N-methyl-ethanamine
CAS Name: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-N-methylethanamine
IUPAC NAME: N-[[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-N-methylethanamine
SYSTEMATIC NAME: N-[[(2S)-5-chloranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-N-methyl-ethanamine
MOLECULAR FORMULA: C13H18ClNO4S
MOLECULAR WEIGHT: 319.80432
SMILES: CCN(C)C[C@H]1COC2=C(C=C(C=C2O1)S(=O)(=O)C)Cl
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Product OPENEYE NAME: methyl 4-[[2-(3-methyl-2H-quinoxalin-1-yl)acetyl]amino]butanoate
CAS Name: 4-[[2-(3-methyl-2H-quinoxalin-1-yl)-1-oxoethyl]amino]butanoic acid methyl ester
IUPAC NAME: methyl 4-[[2-(3-methyl-2H-quinoxalin-1-yl)acetyl]amino]butanoate
SYSTEMATIC NAME: methyl 4-[2-(3-methyl-2H-quinoxalin-1-yl)ethanoylamino]butanoate
MOLECULAR FORMULA: C16H21N3O3
MOLECULAR WEIGHT: 303.35624
SMILES: CC1=NC2=CC=CC=C2N(C1)CC(=O)NCCCC(=O)OC
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Product OPENEYE NAME: ethyl 2-[[2-(6,7-dichloro-3-methyl-2H-quinoxalin-1-yl)acetyl]amino]acetate
CAS Name: 2-[[2-(6,7-dichloro-3-methyl-2H-quinoxalin-1-yl)-1-oxoethyl]amino]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[[2-(6,7-dichloro-3-methyl-2H-quinoxalin-1-yl)acetyl]amino]acetate
SYSTEMATIC NAME: ethyl 2-[2-[6,7-bis(chloranyl)-3-methyl-2H-quinoxalin-1-yl]ethanoylamino]ethanoate
MOLECULAR FORMULA: C15H17Cl2N3O3
MOLECULAR WEIGHT: 358.21978
SMILES: CCOC(=O)CNC(=O)CN1CC(=NC2=CC(=C(C=C21)Cl)Cl)C
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Product OPENEYE NAME: methyl 6-[[2-(6,7-dichloro-3-methyl-2H-quinoxalin-1-yl)acetyl]amino]hexanoate
CAS Name: 6-[[2-(6,7-dichloro-3-methyl-2H-quinoxalin-1-yl)-1-oxoethyl]amino]hexanoic acid methyl ester
IUPAC NAME: methyl 6-[[2-(6,7-dichloro-3-methyl-2H-quinoxalin-1-yl)acetyl]amino]hexanoate
SYSTEMATIC NAME: methyl 6-[2-[6,7-bis(chloranyl)-3-methyl-2H-quinoxalin-1-yl]ethanoylamino]hexanoate
MOLECULAR FORMULA: C18H23Cl2N3O3
MOLECULAR WEIGHT: 400.29952
SMILES: CC1=NC2=CC(=C(C=C2N(C1)CC(=O)NCCCCCC(=O)OC)Cl)Cl
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Product OPENEYE NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-acetate; nicotinic acid
CAS Name: (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetic acid methyl ester; 3-pyridinecarboxylic acid
IUPAC NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate; pyridine-3-carboxylic acid
SYSTEMATIC NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethanoate; pyridine-3-carboxylic acid
MOLECULAR FORMULA: C22H22N2O4S
MOLECULAR WEIGHT: 410.48608
SMILES: COC(=O)[C@H](C1=CC=CC=C1)N2CCC3=C(C2)C=CS3.C1=CC(=CN=C1)C(=O)O
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Product OPENEYE NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-acetate
CAS Name: (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetic acid methyl ester
IUPAC NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate
SYSTEMATIC NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethanoate
MOLECULAR FORMULA: C16H17NO2S
MOLECULAR WEIGHT: 287.37668
SMILES: COC(=O)[C@H](C1=CC=CC=C1)N2CCC3=C(C2)C=CS3
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Product OPENEYE NAME: citric acid; methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-acetate
CAS Name: (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetic acid methyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid
IUPAC NAME: 2-hydroxypropane-1,2,3-tricarboxylic acid; methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate
SYSTEMATIC NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C22H25NO9S
MOLECULAR WEIGHT: 479.5002
SMILES: COC(=O)[C@H](C1=CC=CC=C1)N2CCC3=C(C2)C=CS3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
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Product OPENEYE NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-acetate; sulfuric acid
CAS Name: (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetic acid methyl ester; sulfuric acid
IUPAC NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate; sulfuric acid
SYSTEMATIC NAME: methyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethanoate; sulfuric acid
MOLECULAR FORMULA: C16H19NO6S2
MOLECULAR WEIGHT: 385.45516
SMILES: COC(=O)[C@H](C1=CC=CC=C1)N2CCC3=C(C2)C=CS3.OS(=O)(=O)O
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