[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-(4-chloroanilino)-2-oxo-ethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [2-(4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloroanilino)-2-oxoethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [2-(4-chloroanilino)-2-keto-ethyl] ester Formula: C15H13ClN2O4S MolecularWeight: 352.79272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)OCC(=O)NC2=CC=C(C=C2)Cl)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)OCC(=O)NC2=CC=C(C=C2)Cl)[O-]

InChI

InChI=1S/C15H13ClN2O4S/c16-11-4-6-12(7-5-11)17-13(19)9-22-15(20)10-23-14-3-1-2-8-18(14)21/h1-8H,9-10H2,(H,17,19)