5-[(phenylmethylsulfanyl)methyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(phenylmethylsulfanyl)methyl]thiophene-2-carboxylic acid Openeye Name: 5-(benzylsulfanylmethyl)thiophene-2-carboxylic acid CAS Name: 5-[(phenylmethylthio)methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-(benzylsulfanylmethyl)thiophene-2-carboxylic acid Traditional Name: 5-[(benzylthio)methyl]-2-thenoic acid Formula: C13H12O2S2 MolecularWeight: 264.36318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=CC=C(S2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C13H12O2S2/c14-13(15)12-7-6-11(17-12)9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,15)