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

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c1-12-5-3-4-6-16(12)26-11-18(22)25-10-17(21)19-15-8-7-14(20(23)24)9-13(15)2/h3-9H,10-11H2,1-2H3,(H,19,21)