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

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O4S/c25-19(14-16-8-3-1-4-9-16)24-20(26)15-28-22(27)18-12-7-13-23-21(18)29-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,24,25,26)