[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate CAS Name: 2-(4-ethoxyanilino)-3-pyridinecarboxylic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(p-phenetidino)nicotinic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H23N3O4S/c1-3-29-18-10-6-17(7-11-18)26-22-20(5-4-14-24-22)23(28)30-15-21(27)25-16-8-12-19(31-2)13-9-16/h4-14H,3,15H2,1-2H3,(H,24,26)(H,25,27)