Thursday, June 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl indoline-5-carboxylate
CAS Name: 2,3-dihydro-1H-indole-5-carboxylic acid methyl ester
IUPAC NAME: methyl 2,3-dihydro-1H-indole-5-carboxylate
SYSTEMATIC NAME: methyl 2,3-dihydro-1H-indole-5-carboxylate
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: COC(=O)C1=CC2=C(C=C1)NCC2
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Product OPENEYE NAME: ethyl 2-phenyl-3-thioxo-1,2,4-triazaspiro[4.5]decane-4-carboxylate
CAS Name: 2-phenyl-3-sulfanylidene-1,2,4-triazaspiro[4.5]decane-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-phenyl-3-sulfanylidene-1,2,4-triazaspiro[4.5]decane-4-carboxylate
SYSTEMATIC NAME: ethyl 2-phenyl-3-sulfanylidene-1,2,4-triazaspiro[4.5]decane-4-carboxylate
MOLECULAR FORMULA: C16H21N3O2S
MOLECULAR WEIGHT: 319.42184
SMILES: CCOC(=O)N1C(=S)N(NC12CCCCC2)C3=CC=CC=C3
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Product OPENEYE NAME: ethyl 2-phenyl-3-thioxo-1,2,4-triazaspiro[4.6]undecane-4-carboxylate
CAS Name: 2-phenyl-3-sulfanylidene-1,2,4-triazaspiro[4.6]undecane-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-phenyl-3-sulfanylidene-1,2,4-triazaspiro[4.6]undecane-4-carboxylate
SYSTEMATIC NAME: ethyl 2-phenyl-3-sulfanylidene-1,2,4-triazaspiro[4.6]undecane-4-carboxylate
MOLECULAR FORMULA: C17H23N3O2S
MOLECULAR WEIGHT: 333.44842
SMILES: CCOC(=O)N1C(=S)N(NC12CCCCCC2)C3=CC=CC=C3
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Product OPENEYE NAME: ethyl 3,3-dimethyl-1-phenyl-5-thioxo-1,2,4-triazolidine-4-carboxylate
CAS Name: 3,3-dimethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3,3-dimethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate
SYSTEMATIC NAME: ethyl 3,3-dimethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate
MOLECULAR FORMULA: C13H17N3O2S
MOLECULAR WEIGHT: 279.35798
SMILES: CCOC(=O)N1C(=S)N(NC1(C)C)C2=CC=CC=C2
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Product OPENEYE NAME: ethyl 3-ethyl-3-methyl-1-phenyl-5-thioxo-1,2,4-triazolidine-4-carboxylate
CAS Name: 3-ethyl-3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-ethyl-3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate
SYSTEMATIC NAME: ethyl 3-ethyl-3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate
MOLECULAR FORMULA: C14H19N3O2S
MOLECULAR WEIGHT: 293.38456
SMILES: CCC1(NN(C(=S)N1C(=O)OCC)C2=CC=CC=C2)C
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Product OPENEYE NAME: ethyl 3,3-diethyl-1-phenyl-5-thioxo-1,2,4-triazolidine-4-carboxylate
CAS Name: 3,3-diethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3,3-diethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate
SYSTEMATIC NAME: ethyl 3,3-diethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate
MOLECULAR FORMULA: C15H21N3O2S
MOLECULAR WEIGHT: 307.41114
SMILES: CCC1(NN(C(=S)N1C(=O)OCC)C2=CC=CC=C2)CC
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Product OPENEYE NAME: ethyl 3-tert-butyl-3-ethyl-1-phenyl-5-thioxo-1,2,4-triazolidine-4-carboxylate
CAS Name: 3-tert-butyl-3-ethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-tert-butyl-3-ethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate
SYSTEMATIC NAME: ethyl 3-tert-butyl-3-ethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate
MOLECULAR FORMULA: C17H25N3O2S
MOLECULAR WEIGHT: 335.4643
SMILES: CCC1(NN(C(=S)N1C(=O)OCC)C2=CC=CC=C2)C(C)(C)C
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Product OPENEYE NAME: ethyl 3,3-dimethyl-1-(p-tolyl)-5-thioxo-1,2,4-triazolidine-4-carboxylate
CAS Name: 3,3-dimethyl-1-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazolidine-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3,3-dimethyl-1-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate
SYSTEMATIC NAME: ethyl 3,3-dimethyl-1-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate
MOLECULAR FORMULA: C14H19N3O2S
MOLECULAR WEIGHT: 293.38456
SMILES: CCOC(=O)N1C(=S)N(NC1(C)C)C2=CC=C(C=C2)C
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Product OPENEYE NAME: ethyl 3,3-diethyl-1-(p-tolyl)-5-thioxo-1,2,4-triazolidine-4-carboxylate
CAS Name: 3,3-diethyl-1-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazolidine-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3,3-diethyl-1-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate
SYSTEMATIC NAME: ethyl 3,3-diethyl-1-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate
MOLECULAR FORMULA: C16H23N3O2S
MOLECULAR WEIGHT: 321.43772
SMILES: CCC1(NN(C(=S)N1C(=O)OCC)C2=CC=C(C=C2)C)CC
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Product OPENEYE NAME: ethyl 7-methyl-8-thioxo-6,7,9-triazaspiro[4.4]nonane-9-carboxylate
CAS Name: 7-methyl-8-sulfanylidene-6,7,9-triazaspiro[4.4]nonane-9-carboxylic acid ethyl ester
IUPAC NAME: ethyl 7-methyl-8-sulfanylidene-6,7,9-triazaspiro[4.4]nonane-9-carboxylate
SYSTEMATIC NAME: ethyl 7-methyl-8-sulfanylidene-6,7,9-triazaspiro[4.4]nonane-9-carboxylate
MOLECULAR FORMULA: C10H17N3O2S
MOLECULAR WEIGHT: 243.32588
SMILES: CCOC(=O)N1C(=S)N(NC12CCCC2)C
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