[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] (E)-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] (E)-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] (E)-3-(p-tolyl)prop-2-enoate CAS Name: (E)-3-(4-methylphenyl)-2-propenoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] (E)-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(p-tolyl)acrylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)OCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C21H23NO3S/c1-17-7-9-18(10-8-17)11-12-21(24)25-15-20(23)22-13-14-26-16-19-5-3-2-4-6-19/h2-12H,13-16H2,1H3,(H,22,23)/b12-11+