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

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-13-4-6-16(10-14(13)2)29-9-8-20(24)28-12-19(23)21-17-11-15(22(25)26)5-7-18(17)27-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,23)