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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: 3-[4-(methylthio)phenyl]-2-propenoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: 3-[4-(methylthio)phenyl]acrylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-18(11-3-10-17)15(19)12-21-16(20)9-6-13-4-7-14(22-2)8-5-13/h4-9H,3,11-12H2,1-2H3