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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O3S/c1-22-15-13(8-5-9-17-15)16(20)21-11-14(19)18-10-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,18,19)