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

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-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-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C16H15ClN2O4S MolecularWeight: 366.8193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)[O-]

InChI

InChI=1S/C16H15ClN2O4S/c17-13-6-4-12(5-7-13)9-18-14(20)10-23-16(21)11-24-15-3-1-2-8-19(15)22/h1-8H,9-11H2,(H,18,20)