[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N2O6S/c1-12-6-4-5-7-17(12)28-11-19(23)27-10-18(22)20-14-9-16(26-3)15(21(24)25)8-13(14)2/h4-9H,10-11H2,1-3H3,(H,20,22)