(E)-3-[4-[2-(cyanomethylsulfanyl)ethanoylamino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[2-(cyanomethylsulfanyl)ethanoylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[2-(cyanomethylsulfanyl)acetyl]amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[2-(cyanomethylthio)-1-oxoethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[2-(cyanomethylsulfanyl)acetyl]amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[2-(cyanomethylthio)acetyl]amino]phenyl]acrylic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)NC(=O)CSCC#N

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)O)NC(=O)CSCC#N

InChI

InChI=1S/C13H12N2O3S/c14-7-8-19-9-12(16)15-11-4-1-10(2-5-11)3-6-13(17)18/h1-6H,8-9H2,(H,15,16)(H,17,18)/b6-3+