ethyl 3-[(4-chlorophenyl)methyl]-2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-[(4-chlorophenyl)methyl]-2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[(4-chlorophenyl)methyl]-2-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(4-chlorophenyl)methyl]-2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-chlorophenyl)methyl]-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(4-chlorobenzyl)-4-keto-2-[[2-keto-2-(p-phenetidino)ethyl]thio]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C27H26ClN3O5S2 MolecularWeight: 572.09544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H26ClN3O5S2/c1-4-35-20-12-10-19(11-13-20)29-21(32)15-37-27-30-24-22(16(3)23(38-24)26(34)36-5-2)25(33)31(27)14-17-6-8-18(28)9-7-17/h6-13H,4-5,14-15H2,1-3H3,(H,29,32)