[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-azanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-azanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-aminopyridine-3-carboxylate CAS Name: 2-amino-3-pyridinecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-aminopyridine-3-carboxylate Traditional Name: 2-aminonicotinic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(N=CC=C2)N

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(N=CC=C2)N

InChI

InChI=1S/C16H17N3O3S/c17-15-13(7-4-8-19-15)16(21)22-11-14(20)18-9-10-23-12-5-2-1-3-6-12/h1-8H,9-11H2,(H2,17,19)(H,18,20)