[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] pyridine-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H18N2O3S/c20-16(13-22-17(21)14-6-4-9-18-12-14)19-10-5-11-23-15-7-2-1-3-8-15/h1-4,6-9,12H,5,10-11,13H2,(H,19,20)