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

Systemtic Name: ethyl 5-(4-nitrophenyl)-4-oxidanylidene-7-phenyl-2-(phenylmethylsulfanyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-5-(4-nitrophenyl)-4-oxo-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-(4-nitrophenyl)-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-nitrophenyl)-4-oxo-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(benzylthio)-4-keto-5-(4-nitrophenyl)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C29H24N4O5S MolecularWeight: 540.58966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N=C(N2)SCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N=C(N2)SCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H24N4O5S/c1-2-38-28(35)23-22(19-13-15-21(16-14-19)33(36)37)24-26(30-25(23)20-11-7-4-8-12-20)31-29(32-27(24)34)39-17-18-9-5-3-6-10-18/h3-16,22H,2,17H2,1H3,(H2,30,31,32,34)