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

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H23NO3S/c1-16-5-3-4-6-18(16)13-14-22-20(23)15-25-21(24)12-9-17-7-10-19(26-2)11-8-17/h3-12H,13-15H2,1-2H3,(H,22,23)/b12-9+