3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-(benzylsulfanylmethyl)benzofuran-2-carboxylic acid CAS Name: 3-[(phenylmethylthio)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(benzylthio)methyl]coumarilic acid Formula: C17H14O3S MolecularWeight: 298.35626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H14O3S/c18-17(19)16-14(13-8-4-5-9-15(13)20-16)11-21-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19)