methyl 4-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethoxy]benzoate CAS Name: 4-[2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-[2-(p-tolylthio)ethylamino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c1-13-3-6-15(7-4-13)28-10-9-20-18(22)12-27-17-8-5-14(19(23)26-2)11-16(17)21(24)25/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)