[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C20H17N3O4S/c1-23-12-6-10-16(23)18(25)22-17(24)13-27-20(26)15-9-5-11-21-19(15)28-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,22,24,25)