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

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H21NO3S/c1-15-5-3-4-6-17(15)13-21-19(22)14-24-20(23)12-9-16-7-10-18(25-2)11-8-16/h3-12H,13-14H2,1-2H3,(H,21,22)/b12-9+