[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H17N3O3S/c1-15(20(26)25-17-8-5-7-16(13-17)14-23)28-22(27)19-11-6-12-24-21(19)29-18-9-3-2-4-10-18/h2-13,15H,1H3,(H,25,26)