[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-keto-ethyl] ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S/c1-17(2,12-18)19(3)15(20)11-22-16(21)10-7-13-5-8-14(23-4)9-6-13/h5-10H,11H2,1-4H3/b10-7+