[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3S/c15-8-4-9-16-13(17)11-19-14(18)7-10-20-12-5-2-1-3-6-12/h1-3,5-7,10H,4,9,11H2,(H,16,17)/b10-7+