[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] pyridine-4-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=CC=NC=C2

InChI

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