3-(4-methylphenyl)-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 3-(4-methylphenyl)-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 5-methylsulfanyl-3-(p-tolyl)thiophene-2-carboxylic acid CAS Name: 3-(4-methylphenyl)-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 3-(4-methylphenyl)-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 5-(methylthio)-3-(p-tolyl)-2-thenoic acid Formula: C13H12O2S2 MolecularWeight: 264.36318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2)SC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2)SC)C(=O)O

InChI

InChI=1S/C13H12O2S2/c1-8-3-5-9(6-4-8)10-7-11(16-2)17-12(10)13(14)15/h3-7H,1-2H3,(H,14,15)