[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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