[2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-[2-(isobutylcarbamoyl)anilino]-2-oxo-ethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [2-[2-[(2-methylpropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [2-[2-(isobutylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C20H23N3O5S/c1-14(2)11-21-20(26)15-7-3-4-8-16(15)22-17(24)12-28-19(25)13-29-18-9-5-6-10-23(18)27/h3-10,14H,11-13H2,1-2H3,(H,21,26)(H,22,24)