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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C17H14N2O3S MolecularWeight: 326.36966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C=CC2=CSC=C2

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)/C=C/C2=CSC=C2

InChI

InChI=1S/C17H14N2O3S/c18-9-7-13-1-4-15(5-2-13)19-16(20)11-22-17(21)6-3-14-8-10-23-12-14/h1-6,8,10,12H,7,11H2,(H,19,20)/b6-3+