[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O5S/c1-11-4-2-3-5-15(11)26-10-17(22)25-9-16(21)19-13-7-6-12(18)8-14(13)20(23)24/h2-8H,9-10H2,1H3,(H,19,21)