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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)OCC(=O)NCCC#N

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C15H16N2O3S/c1-21-13-6-3-12(4-7-13)5-8-15(19)20-11-14(18)17-10-2-9-16/h3-8H,2,10-11H2,1H3,(H,17,18)/b8-5+