[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(2-ethoxyanilino)-2-oxo-1-phenyl-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-(o-phenetidino)-1-phenyl-ethyl] ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C23H22N2O4S/c1-3-28-19-14-8-7-13-18(19)25-21(26)20(16-10-5-4-6-11-16)29-23(27)17-12-9-15-24-22(17)30-2/h4-15,20H,3H2,1-2H3,(H,25,26)