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

Systemtic Name: 3-[(phenylmethylsulfanyl)methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(benzylsulfanylmethyl)benzothiophene-2-carboxylic acid CAS Name: 3-[(phenylmethylthio)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(benzylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(benzylthio)methyl]benzothiophene-2-carboxylic acid Formula: C17H14O2S2 MolecularWeight: 314.42186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=C(SC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=C(SC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H14O2S2/c18-17(19)16-14(13-8-4-5-9-15(13)21-16)11-20-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19)