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

Systemtic Name: [2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C22H22N2O3S/c1-17-4-9-19(10-5-17)24(15-3-14-23)21(25)16-27-22(26)13-8-18-6-11-20(28-2)12-7-18/h4-13H,3,15-16H2,1-2H3/b13-8+