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

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C(=CC2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N

InChI

InChI=1S/C22H22N2O4S/c1-16-3-9-20(10-4-16)29-12-11-24-21(25)15-28-22(26)18(14-23)13-17-5-7-19(27-2)8-6-17/h3-10,13H,11-12,15H2,1-2H3,(H,24,25)/b18-13+