ethyl 2-[[6-(2-chlorophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[6-(2-chlorophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[6-(2-chlorophenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[6-(2-chlorophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-(2-chlorophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[6-(2-chlorophenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H26ClN3O3S2 MolecularWeight: 540.09664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(N(C(=S)NC2C3=CC=CC=C3Cl)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(N(C(=S)NC2C3=CC=CC=C3Cl)C4=CC=CC=C4)C

InChI

InChI=1S/C27H26ClN3O3S2/c1-5-34-26(33)21-15(2)17(4)36-25(21)30-24(32)22-16(3)31(18-11-7-6-8-12-18)27(35)29-23(22)19-13-9-10-14-20(19)28/h6-14,23H,5H2,1-4H3,(H,29,35)(H,30,32)