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

Systemtic Name: ethyl 2,6-bis(4-methylphenyl)-4-oxidanylidene-5-phenylsulfanyl-1H-pyridine-3-carboxylate Openeye Name: ethyl 4-oxo-5-phenylsulfanyl-2,6-bis(p-tolyl)-1H-pyridine-3-carboxylate CAS Name: 2,6-bis(4-methylphenyl)-4-oxo-5-(phenylthio)-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,6-bis(4-methylphenyl)-4-oxo-5-phenylsulfanyl-1H-pyridine-3-carboxylate Traditional Name: 4-keto-5-(phenylthio)-2,6-bis(p-tolyl)-1H-pyridine-3-carboxylic acid ethyl ester Formula: C28H25NO3S MolecularWeight: 455.568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25NO3S/c1-4-32-28(31)23-24(20-14-10-18(2)11-15-20)29-25(21-16-12-19(3)13-17-21)27(26(23)30)33-22-8-6-5-7-9-22/h5-17H,4H2,1-3H3,(H,29,30)