ethyl 2-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(homoveratrylcarbamoyl)-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O7S/c1-4-30-20(24)13-31-19-8-6-15(12-16(19)23(26)27)21(25)22-10-9-14-5-7-17(28-2)18(11-14)29-3/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,22,25)