[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H16N2O3S2/c22-17(21-12-15-8-5-11-25-15)13-24-19(23)16-9-4-10-20-18(16)26-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,22)