3-(phenylmethylsulfanyl)thiophene-2-carboxylic acid

Systemtic Name: 3-(phenylmethylsulfanyl)thiophene-2-carboxylic acid Openeye Name: 3-benzylsulfanylthiophene-2-carboxylic acid CAS Name: 3-(phenylmethylthio)-2-thiophenecarboxylic acid IUPAC Name: 3-benzylsulfanylthiophene-2-carboxylic acid Traditional Name: 3-(benzylthio)-2-thenoic acid Formula: C12H10O2S2 MolecularWeight: 250.3366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(SC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(SC=C2)C(=O)O

InChI

InChI=1S/C12H10O2S2/c13-12(14)11-10(6-7-15-11)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)