[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c1-15-5-8-18(9-6-15)28-12-11-21-19(23)14-27-20(24)10-7-16-3-2-4-17(13-16)22(25)26/h2-10,13H,11-12,14H2,1H3,(H,21,23)/b10-7+