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

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O3S/c1-28-21-18(11-7-13-23-21)22(26)27-15-20(25)24-19-12-6-5-10-17(19)14-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,24,25)