(E)-3-(2-acetamido-3-methylsulfanyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(2-acetamido-3-methylsulfanyl-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(2-acetamido-3-methylsulfanyl-phenyl)prop-2-enoic acid CAS Name: (E)-3-[2-acetamido-3-(methylthio)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(2-acetamido-3-methylsulfanylphenyl)prop-2-enoic acid Traditional Name: (E)-3-[2-acetamido-3-(methylthio)phenyl]acrylic acid Formula: C12H13NO3S MolecularWeight: 251.30152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC=C1SC)C=CC(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=CC=C1SC)/C=C/C(=O)O

InChI

InChI=1S/C12H13NO3S/c1-8(14)13-12-9(6-7-11(15)16)4-3-5-10(12)17-2/h3-7H,1-2H3,(H,13,14)(H,15,16)/b7-6+