(Z)-2-methyl-3-(phenylmethylsulfanyl)pent-2-enoate

Systemtic Name: (Z)-2-methyl-3-(phenylmethylsulfanyl)pent-2-enoate Openeye Name: (Z)-3-benzylsulfanyl-2-methyl-pent-2-enoate CAS Name: (Z)-2-methyl-3-(phenylmethylthio)-2-pentenoate IUPAC Name: (Z)-3-benzylsulfanyl-2-methylpent-2-enoate Traditional Name: (Z)-3-(benzylthio)-2-methyl-pent-2-enoate Formula: C13H15O2S- MolecularWeight: 235.322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C)C(=O)[O-])SCC1=CC=CC=C1

Isomeric SMILES

CC/C(=C(\C)/C(=O)[O-])/SCC1=CC=CC=C1

InChI

InChI=1S/C13H16O2S/c1-3-12(10(2)13(14)15)16-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,14,15)/p-1/b12-10-