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

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 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-1-methyl-ethyl] ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H17N3O5S/c1-11(17(23)19-13-7-5-12(6-8-13)16(18)22)25-15(21)10-26-14-4-2-3-9-20(14)24/h2-9,11H,10H2,1H3,(H2,18,22)(H,19,23)