[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C)C

InChI

InChI=1S/C19H20N2O5S/c1-12-7-8-16(14(3)9-12)27-11-18(23)26-10-17(22)20-19-13(2)5-4-6-15(19)21(24)25/h4-9H,10-11H2,1-3H3,(H,20,22)