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

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-(4-carbamoylanilino)-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-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5S/c17-16(22)11-4-6-12(7-5-11)18-13(20)9-24-15(21)10-25-14-3-1-2-8-19(14)23/h1-8H,9-10H2,(H2,17,22)(H,18,20)