(E)-3-ethylsulfanyl-3-(2-methylphenyl)prop-2-enoic acid

Systemtic Name: (E)-3-ethylsulfanyl-3-(2-methylphenyl)prop-2-enoic acid Openeye Name: (E)-3-ethylsulfanyl-3-(o-tolyl)prop-2-enoic acid CAS Name: (E)-3-(ethylthio)-3-(2-methylphenyl)-2-propenoic acid IUPAC Name: (E)-3-ethylsulfanyl-3-(2-methylphenyl)prop-2-enoic acid Traditional Name: (E)-3-(ethylthio)-3-(o-tolyl)acrylic acid Formula: C12H14O2S MolecularWeight: 222.30336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=CC(=O)O)C1=CC=CC=C1C

Isomeric SMILES

CCS/C(=C/C(=O)O)/C1=CC=CC=C1C

InChI

InChI=1S/C12H14O2S/c1-3-15-11(8-12(13)14)10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3,(H,13,14)/b11-8+