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

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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