[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C16H16N2O4S/c19-15(17-8-11-23-14-4-2-1-3-5-14)12-22-16(20)13-6-9-18(21)10-7-13/h1-7,9-10H,8,11-12H2,(H,17,19)