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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C18H17NO7S MolecularWeight: 391.39508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO7S/c1-24-16-8-3-12(9-17(16)25-2)15(20)10-26-18(21)11-27-14-6-4-13(5-7-14)19(22)23/h3-9H,10-11H2,1-2H3