[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C19H16N2O3S MolecularWeight: 352.40694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC=CC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

C1=CC=C(C=C1)S/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C19H16N2O3S/c20-12-10-15-6-8-16(9-7-15)21-18(22)14-24-19(23)11-13-25-17-4-2-1-3-5-17/h1-9,11,13H,10,14H2,(H,21,22)/b13-11+