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

Systemtic Name: ethyl 4-oxidanylidene-7-phenyl-5-(4-phenylmethoxyphenyl)-2-(phenylmethylsulfanyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-(4-benzyloxyphenyl)-2-benzylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-oxo-7-phenyl-5-(4-phenylmethoxyphenyl)-2-(phenylmethylthio)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-4-oxo-7-phenyl-5-(4-phenylmethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-(4-benzoxyphenyl)-2-(benzylthio)-4-keto-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C36H31N3O4S MolecularWeight: 601.71404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)N=C(N2)SCC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)N=C(N2)SCC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H31N3O4S/c1-2-42-35(41)30-29(26-18-20-28(21-19-26)43-22-24-12-6-3-7-13-24)31-33(37-32(30)27-16-10-5-11-17-27)38-36(39-34(31)40)44-23-25-14-8-4-9-15-25/h3-21,29H,2,22-23H2,1H3,(H2,37,38,39,40)