[2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4S/c1-23-22(28)25-19(26)18(15-9-4-2-5-10-15)29-21(27)17-13-8-14-24-20(17)30-16-11-6-3-7-12-16/h2-14,18H,1H3,(H2,23,25,26,28)