ethyl 5-(4-methylphenyl)sulfanyl-4-oxidanylidene-2,6-diphenyl-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 5-(4-methylphenyl)sulfanyl-4-oxidanylidene-2,6-diphenyl-1H-pyridine-3-carboxylate Openeye Name: ethyl 4-oxo-2,6-diphenyl-5-(p-tolylsulfanyl)-1H-pyridine-3-carboxylate CAS Name: 5-[(4-methylphenyl)thio]-4-oxo-2,6-diphenyl-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methylphenyl)sulfanyl-4-oxo-2,6-diphenyl-1H-pyridine-3-carboxylate Traditional Name: 4-keto-2,6-diphenyl-5-(p-tolylthio)-1H-pyridine-3-carboxylic acid ethyl ester Formula: C27H23NO3S MolecularWeight: 441.54142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1=O)SC2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1=O)SC2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO3S/c1-3-31-27(30)22-23(19-10-6-4-7-11-19)28-24(20-12-8-5-9-13-20)26(25(22)29)32-21-16-14-18(2)15-17-21/h4-17H,3H2,1-2H3,(H,28,29)