Product OPENEYE NAME: 1-[(E)-4H-thieno[3,2-c][1]benzothiepin-10-ylidenemethyl]-3-[(Z)-4H-thieno[3,2-c][1]benzothiepin-10-ylidenemethyl]urea
CAS Name: 1-[(E)-4H-thieno[3,2-c][1]benzothiepin-10-ylidenemethyl]-3-[(Z)-4H-thieno[3,2-c][1]benzothiepin-10-ylidenemethyl]urea
IUPAC NAME: 1-[(E)-4H-thieno[3,2-c][1]benzothiepin-10-ylidenemethyl]-3-[(Z)-4H-thieno[3,2-c][1]benzothiepin-10-ylidenemethyl]urea
SYSTEMATIC NAME: 1-[(E)-4H-thieno[3,2-c][1]benzothiepin-10-ylidenemethyl]-3-[(Z)-4H-thieno[3,2-c][1]benzothiepin-10-ylidenemethyl]urea
MOLECULAR FORMULA: C27H20N2OS4
MOLECULAR WEIGHT: 516.7205
SMILES: C1C2=C(/C(=C/NC(=O)N/C=C\3/C4=CC=CC=C4SCC5=C3SC=C5)/C6=CC=CC=C6S1)SC=C2
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Product OPENEYE NAME: 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CAS Name: 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
IUPAC NAME: 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SYSTEMATIC NAME: 8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
MOLECULAR FORMULA: C9H15NO3
MOLECULAR WEIGHT: 185.2203
SMILES: CN1C2CCC1CC(C2)(C(=O)O)O
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Product OPENEYE NAME: 3-(4-fluorobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CAS Name: 3-[(4-fluorophenyl)-oxomethoxy]-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
IUPAC NAME: 3-(4-fluorobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SYSTEMATIC NAME: 3-(4-fluorophenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
MOLECULAR FORMULA: C16H18FNO4
MOLECULAR WEIGHT: 307.316823
SMILES: CN1C2CCC1CC(C2)(C(=O)O)OC(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 3-(2,2-diphenylacetyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CAS Name: 8-methyl-3-(1-oxo-2,2-diphenylethoxy)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
IUPAC NAME: 3-(2,2-diphenylacetyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SYSTEMATIC NAME: 3-(2,2-diphenylethanoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
MOLECULAR FORMULA: C23H25NO4
MOLECULAR WEIGHT: 379.4489
SMILES: CN1C2CCC1CC(C2)(C(=O)O)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (NE)-N-[(2E,4Z)-4-methoxy-5-oxido-penta-2,4-dienylidene]sulfamate
CAS Name: (NE)-N-[(2E,4Z)-4-methoxy-5-oxidopenta-2,4-dienylidene]sulfamate
IUPAC NAME: (NE)-N-[(2E,4Z)-4-methoxy-5-oxidopenta-2,4-dienylidene]sulfamate
SYSTEMATIC NAME: (NE)-N-[(2E,4Z)-4-methoxy-5-oxidanidyl-penta-2,4-dienylidene]sulfamate
MOLECULAR FORMULA: C6H7NO5S-2
MOLECULAR WEIGHT: 205.18848
SMILES: CO/C(=C\[O-])/C=C/C=N/S(=O)(=O)[O-]
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MOLECULAR FORMULA: C46H36N2
MOLECULAR WEIGHT: 616.79144
SMILES: CC1=CC=C(C=C1)C23C4=C(C=C(C=C4)C)C5C(C2=C(C(=N3)C6=CC=CC=C6)C7=CC=CC=C7)C(=C(N5)C8=CC=CC=C8)C9=CC=CC=C9
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Product OPENEYE NAME: N,N-diisopropyl-2-(methylamino)benzamide
CAS Name: 2-(methylamino)-N,N-di(propan-2-yl)benzamide
IUPAC NAME: 2-(methylamino)-N,N-di(propan-2-yl)benzamide
SYSTEMATIC NAME: 2-(methylamino)-N,N-di(propan-2-yl)benzamide
MOLECULAR FORMULA: C14H22N2O
MOLECULAR WEIGHT: 234.33728
SMILES: CC(C)N(C(C)C)C(=O)C1=CC=CC=C1NC
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Product OPENEYE NAME: ethyl N-(4-chloro-2-cyano-phenyl)methanimidate
CAS Name: N-(4-chloro-2-cyanophenyl)methanimidic acid ethyl ester
IUPAC NAME: ethyl N-(4-chloro-2-cyanophenyl)methanimidate
SYSTEMATIC NAME: ethyl N-(4-chloranyl-2-cyano-phenyl)methanimidate
MOLECULAR FORMULA: C10H9ClN2O
MOLECULAR WEIGHT: 208.64426
SMILES: CCOC=NC1=C(C=C(C=C1)Cl)C#N
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Product OPENEYE NAME: 4,5-dihydropyrazolo[3,4-a]acridin-1-amine
CAS Name: 4,5-dihydropyrazolo[3,4-a]acridin-1-amine
IUPAC NAME: 4,5-dihydropyrazolo[3,4-a]acridin-1-amine
SYSTEMATIC NAME: 4,5-dihydropyrazolo[3,4-a]acridin-1-amine
MOLECULAR FORMULA: C14H12N4
MOLECULAR WEIGHT: 236.27188
SMILES: C1CC2=NC3=CC=CC=C3C=C2C4=C1C=NN4N
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Product OPENEYE NAME: (2Z)-2-(dimethylaminomethylene)-3,4-dihydroacridin-1-one
CAS Name: (2Z)-2-(dimethylaminomethylidene)-3,4-dihydroacridin-1-one
IUPAC NAME: (2Z)-2-(dimethylaminomethylidene)-3,4-dihydroacridin-1-one
SYSTEMATIC NAME: (2Z)-2-(dimethylaminomethylidene)-3,4-dihydroacridin-1-one
MOLECULAR FORMULA: C16H16N2O
MOLECULAR WEIGHT: 252.31104
SMILES: CN(C)/C=C\1/CCC2=NC3=CC=CC=C3C=C2C1=O
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Product OPENEYE NAME: ethyl 5-oxo-2-(p-tolyl)isoxazole-4-carboxylate
CAS Name: 2-(4-methylphenyl)-5-oxo-4-isoxazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(4-methylphenyl)-5-oxo-1,2-oxazole-4-carboxylate
SYSTEMATIC NAME: ethyl 2-(4-methylphenyl)-5-oxidanylidene-1,2-oxazole-4-carboxylate
MOLECULAR FORMULA: C13H13NO4
MOLECULAR WEIGHT: 247.24662
SMILES: CCOC(=O)C1=CN(OC1=O)C2=CC=C(C=C2)C
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MOLECULAR FORMULA: C32H21Cl2NO3
MOLECULAR WEIGHT: 538.42004
SMILES: C1=CC=C(C=C1)CN2[C@H](C3=CC4=C5C(=C3O[C@@H]2C6=CC=C(C=C6)Cl)C=CC=C5C(=O)O4)C7=CC=C(C=C7)Cl
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Product OPENEYE NAME: ethyl (Z)-3-bromo-4,4,4-trifluoro-but-2-enoate
CAS Name: (Z)-3-bromo-4,4,4-trifluoro-2-butenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-3-bromo-4,4,4-trifluorobut-2-enoate
SYSTEMATIC NAME: ethyl (Z)-3-bromanyl-4,4,4-tris(fluoranyl)but-2-enoate
MOLECULAR FORMULA: C6H6BrF3O2
MOLECULAR WEIGHT: 247.00985
SMILES: CCOC(=O)/C=C(/C(F)(F)F)\Br
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Product OPENEYE NAME: ethyl (Z)-4,4,4-trichloro-3-methoxy-but-2-enoate
CAS Name: (Z)-4,4,4-trichloro-3-methoxy-2-butenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-4,4,4-trichloro-3-methoxybut-2-enoate
SYSTEMATIC NAME: ethyl (Z)-4,4,4-tris(chloranyl)-3-methoxy-but-2-enoate
MOLECULAR FORMULA: C7H9Cl3O3
MOLECULAR WEIGHT: 247.50356
SMILES: CCOC(=O)/C=C(/C(Cl)(Cl)Cl)\OC
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MOLECULAR FORMULA: C22H28N6
MOLECULAR WEIGHT: 376.49792
SMILES: CCN(CC)CCCNNC1=NC=CC2=C1C=C3C4=C(C=CN=C4)NC3=C2C
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Product OPENEYE NAME: (4R)-N-[(E)-benzylideneamino]-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
CAS Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(E)-(phenylmethylene)amino]pentanamide
IUPAC NAME: (4R)-N-[(E)-benzylideneamino]-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
SYSTEMATIC NAME: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(E)-(phenylmethylidene)amino]pentanamide
MOLECULAR FORMULA: C31H46N2O3
MOLECULAR WEIGHT: 494.70854
SMILES: C[C@H](CCC(=O)N/N=C/C1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C
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Product OPENEYE NAME: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(E)-(4-methoxyphenyl)methyleneamino]pentanamide
CAS Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]pentanamide
IUPAC NAME: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]pentanamide
SYSTEMATIC NAME: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]pentanamide
MOLECULAR FORMULA: C32H48N2O4
MOLECULAR WEIGHT: 524.73452
SMILES: C[C@H](CCC(=O)N/N=C/C1=CC=C(C=C1)OC)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C
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Product OPENEYE NAME: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(E)-p-tolylmethyleneamino]pentanamide
CAS Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(E)-(4-methylphenyl)methylideneamino]pentanamide
IUPAC NAME: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(E)-(4-methylphenyl)methylideneamino]pentanamide
SYSTEMATIC NAME: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(E)-(4-methylphenyl)methylideneamino]pentanamide
MOLECULAR FORMULA: C32H48N2O3
MOLECULAR WEIGHT: 508.73512
SMILES: CC1=CC=C(C=C1)/C=N/NC(=O)CC[C@@H](C)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C
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Product OPENEYE NAME: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(E)-(4-nitrophenyl)methyleneamino]pentanamide
CAS Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(E)-(4-nitrophenyl)methylideneamino]pentanamide
IUPAC NAME: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(E)-(4-nitrophenyl)methylideneamino]pentanamide
SYSTEMATIC NAME: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(E)-(4-nitrophenyl)methylideneamino]pentanamide
MOLECULAR FORMULA: C31H45N3O5
MOLECULAR WEIGHT: 539.7061
SMILES: C[C@H](CCC(=O)N/N=C/C1=CC=C(C=C1)[N+](=O)[O-])[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C
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Product OPENEYE NAME: (4R)-N-[(E)-(4-chlorophenyl)methyleneamino]-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
CAS Name: (4R)-N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
IUPAC NAME: (4R)-N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
SYSTEMATIC NAME: (4R)-N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
MOLECULAR FORMULA: C31H45ClN2O3
MOLECULAR WEIGHT: 529.1536
SMILES: C[C@H](CCC(=O)N/N=C/C1=CC=C(C=C1)Cl)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C
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Product OPENEYE NAME: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanehydrazide
CAS Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanehydrazide
IUPAC NAME: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanehydrazide
SYSTEMATIC NAME: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanehydrazide
MOLECULAR FORMULA: C24H42N2O3
MOLECULAR WEIGHT: 406.60188
SMILES: C[C@H](CCC(=O)NN)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
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