[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H18N2O7S/c1-25-15-8-3-12(9-16(15)26-2)19-17(21)10-27-18(22)11-28-14-6-4-13(5-7-14)20(23)24/h3-9H,10-11H2,1-2H3,(H,19,21)