3-[(4-methylphenyl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylphenyl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(p-tolylsulfanylmethyl)benzothiophene-2-carboxylic acid CAS Name: 3-[[(4-methylphenyl)thio]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(4-methylphenyl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(p-tolylthio)methyl]benzothiophene-2-carboxylic acid Formula: C17H14O2S2 MolecularWeight: 314.42186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(SC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(SC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H14O2S2/c1-11-6-8-12(9-7-11)20-10-14-13-4-2-3-5-15(13)21-16(14)17(18)19/h2-9H,10H2,1H3,(H,18,19)