Product OPENEYE NAME: (2S,3R)-3-(1-methylpiperidin-1-ium-1-yl)-2-propyl-thietane 1,1-dioxide
CAS Name: (2S,3R)-3-(1-methyl-1-piperidin-1-iumyl)-2-propylthietane 1,1-dioxide
IUPAC NAME: (2S,3R)-3-(1-methylpiperidin-1-ium-1-yl)-2-propylthietane 1,1-dioxide
SYSTEMATIC NAME: (2S,3R)-3-(1-methylpiperidin-1-ium-1-yl)-2-propyl-thietane 1,1-dioxide
MOLECULAR FORMULA: C12H24NO2S+
MOLECULAR WEIGHT: 246.38946
SMILES: CCC[C@H]1[C@@H](CS1(=O)=O)[N+]2(CCCCC2)C
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Product OPENEYE NAME: 2-propyl-2H-thiete 1,1-dioxide
CAS Name: 2-propyl-2H-thiete 1,1-dioxide
IUPAC NAME: 2-propyl-2H-thiete 1,1-dioxide
SYSTEMATIC NAME: 2-propyl-2H-thiete 1,1-dioxide
MOLECULAR FORMULA: C6H10O2S
MOLECULAR WEIGHT: 146.2074
SMILES: CCCC1C=CS1(=O)=O
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Product OPENEYE NAME: 2-propylthietane 1,1-dioxide
CAS Name: 2-propylthietane 1,1-dioxide
IUPAC NAME: 2-propylthietane 1,1-dioxide
SYSTEMATIC NAME: 2-propylthietane 1,1-dioxide
MOLECULAR FORMULA: C6H12O2S
MOLECULAR WEIGHT: 148.22328
SMILES: CCCC1CCS1(=O)=O
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Product OPENEYE NAME: 4-(2-thienyl)tetrahydropyran-2,6-dione
CAS Name: 4-thiophen-2-yloxane-2,6-dione
IUPAC NAME: 4-thiophen-2-yloxane-2,6-dione
SYSTEMATIC NAME: 4-thiophen-2-yloxane-2,6-dione
MOLECULAR FORMULA: C9H8O3S
MOLECULAR WEIGHT: 196.22302
SMILES: C1C(CC(=O)OC1=O)C2=CC=CS2
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Product OPENEYE NAME: dimethyl 3-(2-thienyl)pentanedioate
CAS Name: 3-thiophen-2-ylpentanedioic acid dimethyl ester
IUPAC NAME: dimethyl 3-thiophen-2-ylpentanedioate
SYSTEMATIC NAME: dimethyl 3-thiophen-2-ylpentanedioate
MOLECULAR FORMULA: C11H14O4S
MOLECULAR WEIGHT: 242.29146
SMILES: COC(=O)CC(CC(=O)OC)C1=CC=CS1
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Product OPENEYE NAME: dimethyl 3-(3-thienyl)pentanedioate
CAS Name: 3-(3-thiophenyl)pentanedioic acid dimethyl ester
IUPAC NAME: dimethyl 3-thiophen-3-ylpentanedioate
SYSTEMATIC NAME: dimethyl 3-thiophen-3-ylpentanedioate
MOLECULAR FORMULA: C11H14O4S
MOLECULAR WEIGHT: 242.29146
SMILES: COC(=O)CC(CC(=O)OC)C1=CSC=C1
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Product OPENEYE NAME: 2-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetyl azide
CAS Name: 4-(2-azido-2-oxoethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one
IUPAC NAME: 2-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetyl azide
SYSTEMATIC NAME: 4-(2-azido-2-oxidanylidene-ethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one
MOLECULAR FORMULA: C9H7N3O2S
MOLECULAR WEIGHT: 221.23578
SMILES: C1C(C2=C(C1=O)SC=C2)CC(=O)N=[N+]=[N-]
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Product OPENEYE NAME: 4-(isocyanatomethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one
CAS Name: 4-(isocyanatomethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one
IUPAC NAME: 4-(isocyanatomethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one
SYSTEMATIC NAME: 4-(isocyanatomethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one
MOLECULAR FORMULA: C9H7NO2S
MOLECULAR WEIGHT: 193.22238
SMILES: C1C(C2=C(C1=O)SC=C2)CN=C=O
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Product OPENEYE NAME: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4,5-dihydrocyclopenta[b]thiophen-6-one
CAS Name: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4,5-dihydrocyclopenta[b]thiophen-6-one
IUPAC NAME: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4,5-dihydrocyclopenta[b]thiophen-6-one
SYSTEMATIC NAME: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4,5-dihydrocyclopenta[b]thiophen-6-one
MOLECULAR FORMULA: C16H12N2O2S
MOLECULAR WEIGHT: 296.34368
SMILES: C1C(C2=C(C1=O)SC=C2)CC3=NN=C(O3)C4=CC=CC=C4
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Product OPENEYE NAME: diethyl 2,4-diacetyl-3-(3-thienyl)pentanedioate
CAS Name: 2,4-diacetyl-3-(3-thiophenyl)pentanedioic acid diethyl ester
IUPAC NAME: diethyl 2,4-diacetyl-3-thiophen-3-ylpentanedioate
SYSTEMATIC NAME: diethyl 2,4-diethanoyl-3-thiophen-3-yl-pentanedioate
MOLECULAR FORMULA: C17H22O6S
MOLECULAR WEIGHT: 354.41798
SMILES: CCOC(=O)C(C(C1=CSC=C1)C(C(=O)C)C(=O)OCC)C(=O)C
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Product OPENEYE NAME: diethyl 2,4-diacetyl-3-(2-methyl-3-thienyl)pentanedioate
CAS Name: 2,4-diacetyl-3-(2-methyl-3-thiophenyl)pentanedioic acid diethyl ester
IUPAC NAME: diethyl 2,4-diacetyl-3-(2-methylthiophen-3-yl)pentanedioate
SYSTEMATIC NAME: diethyl 2,4-diethanoyl-3-(2-methylthiophen-3-yl)pentanedioate
MOLECULAR FORMULA: C18H24O6S
MOLECULAR WEIGHT: 368.44456
SMILES: CCOC(=O)C(C(C1=C(SC=C1)C)C(C(=O)C)C(=O)OCC)C(=O)C
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Product OPENEYE NAME: 2-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetyl chloride
CAS Name: 2-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetyl chloride
IUPAC NAME: 2-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetyl chloride
SYSTEMATIC NAME: 2-(6-oxidanylidene-4,5-dihydrocyclopenta[b]thiophen-4-yl)ethanoyl chloride
MOLECULAR FORMULA: C9H7ClO2S
MOLECULAR WEIGHT: 214.66868
SMILES: C1C(C2=C(C1=O)SC=C2)CC(=O)Cl
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Product OPENEYE NAME: ethyl 5-cyano-4-methyl-2-methylsulfanyl-6-oxo-1-phenyl-pyridine-3-carboxylate
CAS Name: 5-cyano-4-methyl-2-(methylthio)-6-oxo-1-phenyl-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-cyano-4-methyl-2-methylsulfanyl-6-oxo-1-phenylpyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 5-cyano-4-methyl-2-methylsulfanyl-6-oxidanylidene-1-phenyl-pyridine-3-carboxylate
MOLECULAR FORMULA: C17H16N2O3S
MOLECULAR WEIGHT: 328.38554
SMILES: CCOC(=O)C1=C(N(C(=O)C(=C1C)C#N)C2=CC=CC=C2)SC
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Product OPENEYE NAME: ethyl 4-amino-5-methyl-3,8-diphenyl-2,7-dithioxo-pyrido[2,3-d]pyrimidine-6-carboxylate
CAS Name: 4-amino-5-methyl-3,8-diphenyl-2,7-bis(sulfanylidene)-6-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-amino-5-methyl-3,8-diphenyl-2,7-bis(sulfanylidene)pyrido[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 4-azanyl-5-methyl-3,8-diphenyl-2,7-bis(sulfanylidene)pyrido[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C23H20N4O2S2
MOLECULAR WEIGHT: 448.5605
SMILES: CCOC(=O)C1=C(C2=C(N(C(=S)N=C2N(C1=S)C3=CC=CC=C3)C4=CC=CC=C4)N)C
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Product OPENEYE NAME: diethyl (Z)-3-amino-2-cyano-4-(phenylcarbamothioyl)pent-2-enedioate
CAS Name: (Z)-3-amino-4-[anilino(sulfanylidene)methyl]-2-cyano-2-pentenedioic acid diethyl ester
IUPAC NAME: diethyl (Z)-3-amino-2-cyano-4-(phenylcarbamothioyl)pent-2-enedioate
SYSTEMATIC NAME: diethyl (Z)-3-azanyl-2-cyano-4-(phenylcarbamothioyl)pent-2-enedioate
MOLECULAR FORMULA: C17H19N3O4S
MOLECULAR WEIGHT: 361.41546
SMILES: CCOC(=O)C(/C(=C(\C#N)/C(=O)OCC)/N)C(=S)NC1=CC=CC=C1
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Product OPENEYE NAME: ethyl 4-amino-3,8-bis(4-chlorophenyl)-5-methyl-2,7-dithioxo-pyrido[2,3-d]pyrimidine-6-carboxylate
CAS Name: 4-amino-3,8-bis(4-chlorophenyl)-5-methyl-2,7-bis(sulfanylidene)-6-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-amino-3,8-bis(4-chlorophenyl)-5-methyl-2,7-bis(sulfanylidene)pyrido[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 4-azanyl-3,8-bis(4-chlorophenyl)-5-methyl-2,7-bis(sulfanylidene)pyrido[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C23H18Cl2N4O2S2
MOLECULAR WEIGHT: 517.45062
SMILES: CCOC(=O)C1=C(C2=C(N(C(=S)N=C2N(C1=S)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)N)C
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Product OPENEYE NAME: ethyl 4-imino-5-methyl-2-methylsulfanyl-3,8-diphenyl-7-thioxo-pyrido[2,3-d]pyrimidine-6-carboxylate
CAS Name: 4-imino-5-methyl-2-(methylthio)-3,8-diphenyl-7-sulfanylidene-6-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-imino-5-methyl-2-methylsulfanyl-3,8-diphenyl-7-sulfanylidenepyrido[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 4-azanylidene-5-methyl-2-methylsulfanyl-3,8-diphenyl-7-sulfanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C24H22N4O2S2
MOLECULAR WEIGHT: 462.58708
SMILES: CCOC(=O)C1=C(C2=C(N=C(N(C2=N)C3=CC=CC=C3)SC)N(C1=S)C4=CC=CC=C4)C
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Product OPENEYE NAME: ethyl 3,8-bis(4-chlorophenyl)-4-imino-5-methyl-2-methylsulfanyl-7-thioxo-pyrido[2,3-d]pyrimidine-6-carboxylate
CAS Name: 3,8-bis(4-chlorophenyl)-4-imino-5-methyl-2-(methylthio)-7-sulfanylidene-6-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 3,8-bis(4-chlorophenyl)-4-imino-5-methyl-2-methylsulfanyl-7-sulfanylidenepyrido[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 4-azanylidene-3,8-bis(4-chlorophenyl)-5-methyl-2-methylsulfanyl-7-sulfanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C24H20Cl2N4O2S2
MOLECULAR WEIGHT: 531.4772
SMILES: CCOC(=O)C1=C(C2=C(N=C(N(C2=N)C3=CC=C(C=C3)Cl)SC)N(C1=S)C4=CC=C(C=C4)Cl)C
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Product OPENEYE NAME: ethyl 4-amino-5-methyl-2-oxo-3,8-diphenyl-7-thioxo-pyrido[2,3-d]pyrimidine-6-carboxylate
CAS Name: 4-amino-5-methyl-2-oxo-3,8-diphenyl-7-sulfanylidene-6-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-amino-5-methyl-2-oxo-3,8-diphenyl-7-sulfanylidenepyrido[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 4-azanyl-5-methyl-2-oxidanylidene-3,8-diphenyl-7-sulfanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C23H20N4O3S
MOLECULAR WEIGHT: 432.4949
SMILES: CCOC(=O)C1=C(C2=C(N(C(=O)N=C2N(C1=S)C3=CC=CC=C3)C4=CC=CC=C4)N)C
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Product OPENEYE NAME: ethyl 4-amino-3,8-bis(4-chlorophenyl)-5-methyl-2-oxo-7-thioxo-pyrido[2,3-d]pyrimidine-6-carboxylate
CAS Name: 4-amino-3,8-bis(4-chlorophenyl)-5-methyl-2-oxo-7-sulfanylidene-6-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-amino-3,8-bis(4-chlorophenyl)-5-methyl-2-oxo-7-sulfanylidenepyrido[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 4-azanyl-3,8-bis(4-chlorophenyl)-5-methyl-2-oxidanylidene-7-sulfanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C23H18Cl2N4O3S
MOLECULAR WEIGHT: 501.38502
SMILES: CCOC(=O)C1=C(C2=C(N(C(=O)N=C2N(C1=S)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)N)C
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Product OPENEYE NAME: diethyl (Z,4Z)-3-amino-4-[anilino(methylsulfanyl)methylene]-2-cyano-pent-2-enedioate
CAS Name: (Z,4Z)-3-amino-4-[anilino-(methylthio)methylidene]-2-cyano-2-pentenedioic acid diethyl ester
IUPAC NAME: diethyl (Z,4Z)-3-amino-4-[anilino(methylsulfanyl)methylidene]-2-cyanopent-2-enedioate
SYSTEMATIC NAME: diethyl (Z,4Z)-3-azanyl-2-cyano-4-[methylsulfanyl(phenylazanyl)methylidene]pent-2-enedioate
MOLECULAR FORMULA: C18H21N3O4S
MOLECULAR WEIGHT: 375.44204
SMILES: CCOC(=O)/C(=C(/C(=C(\NC1=CC=CC=C1)/SC)/C(=O)OCC)\N)/C#N
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Product OPENEYE NAME: (Z)-(5-cyano-4-methyl-6-oxo-1-phenyl-2-thioxo-3-pyridylidene)-ethoxy-methanolate
CAS Name: (Z)-(5-cyano-4-methyl-6-oxo-1-phenyl-2-sulfanylidene-3-pyridinylidene)-ethoxymethanolate
IUPAC NAME: (Z)-(5-cyano-4-methyl-6-oxo-1-phenyl-2-sulfanylidenepyridin-3-ylidene)-ethoxymethanolate
SYSTEMATIC NAME: (Z)-(5-cyano-4-methyl-6-oxidanylidene-1-phenyl-2-sulfanylidene-pyridin-3-ylidene)-ethoxy-methanolate
MOLECULAR FORMULA: C16H13N2O3S-
MOLECULAR WEIGHT: 313.35102
SMILES: CCO/C(=C\1/C(=C(C(=O)N(C1=S)C2=CC=CC=C2)C#N)C)/[O-]
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