[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethyl)phenyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [4-(2-amino-2-oxo-ethyl)phenyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [4-(2-amino-2-oxoethyl)phenyl] ester IUPAC Name: [4-(2-amino-2-oxoethyl)phenyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [4-(2-amino-2-keto-ethyl)phenyl] ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OC3=CC=C(C=C3)CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OC3=CC=C(C=C3)CC(=O)N

InChI

InChI=1S/C20H16N2O3S/c21-18(23)13-14-8-10-15(11-9-14)25-20(24)17-7-4-12-22-19(17)26-16-5-2-1-3-6-16/h1-12H,13H2,(H2,21,23)