ethyl 5-(4-ethoxyphenyl)-4-oxidanylidene-7-phenyl-2-(phenylmethylsulfanyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-(4-ethoxyphenyl)-4-oxidanylidene-7-phenyl-2-(phenylmethylsulfanyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-5-(4-ethoxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-(4-ethoxyphenyl)-4-oxo-7-phenyl-2-(phenylmethylthio)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-5-(4-ethoxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(benzylthio)-4-keto-7-phenyl-5-p-phenetyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C31H29N3O4S MolecularWeight: 539.64466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3=C(NC(=C2C(=O)OCC)C4=CC=CC=C4)NC(=NC3=O)SCC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C3=C(NC(=C2C(=O)OCC)C4=CC=CC=C4)NC(=NC3=O)SCC5=CC=CC=C5

InChI

InChI=1S/C31H29N3O4S/c1-3-37-23-17-15-21(16-18-23)24-25(30(36)38-4-2)27(22-13-9-6-10-14-22)32-28-26(24)29(35)34-31(33-28)39-19-20-11-7-5-8-12-20/h5-18,24H,3-4,19H2,1-2H3,(H2,32,33,34,35)