[2-(methylamino)-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-keto-2-(methylamino)ethyl] ester Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CNC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C15H14N2O3S/c1-16-13(18)10-20-15(19)12-8-5-9-17-14(12)21-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,16,18)