2-[(3-methoxyphenyl)methyl]-3-(phenylcarbonylsulfanyl)propanoic acid

Systemtic Name: 2-[(3-methoxyphenyl)methyl]-3-(phenylcarbonylsulfanyl)propanoic acid Openeye Name: 2-(benzoylsulfanylmethyl)-3-(3-methoxyphenyl)propanoic acid CAS Name: 2-[(benzoylthio)methyl]-3-(3-methoxyphenyl)propanoic acid IUPAC Name: 2-(benzoylsulfanylmethyl)-3-(3-methoxyphenyl)propanoic acid Traditional Name: 2-[(benzoylthio)methyl]-3-(3-methoxyphenyl)propionic acid Formula: C18H18O4S MolecularWeight: 330.39812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H18O4S/c1-22-16-9-5-6-13(11-16)10-15(17(19)20)12-23-18(21)14-7-3-2-4-8-14/h2-9,11,15H,10,12H2,1H3,(H,19,20)