[2-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]amino]ethyl] 2-ethoxypyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]amino]ethyl] 2-ethoxypyridine-3-carboxylate Openeye Name: [2-(2-benzylsulfanylanilino)-2-oxo-ethyl] 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [2-oxo-2-[2-(phenylmethylthio)anilino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid [2-[2-(benzylthio)anilino]-2-keto-ethyl] ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=CC=C2SCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=CC=C2SCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4S/c1-2-28-22-18(11-8-14-24-22)23(27)29-15-21(26)25-19-12-6-7-13-20(19)30-16-17-9-4-3-5-10-17/h3-14H,2,15-16H2,1H3,(H,25,26)