4-[[7-(2-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-[[7-(2-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 5-methylsulfanyl-4-[[7-(o-tolyl)-3H-benzimidazol-5-yl]sulfonyl]thiophene-2-carboxylic acid CAS Name: 4-[[7-(2-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-[[7-(2-methylphenyl)-3H-benzimidazol-5-yl]sulfonyl]-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 5-(methylthio)-4-[[7-(o-tolyl)-3H-benzimidazol-5-yl]sulfonyl]-2-thenoic acid Formula: C20H16N2O4S3 MolecularWeight: 444.54704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC3=C2N=CN3)S(=O)(=O)C4=C(SC(=C4)C(=O)O)SC

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC3=C2N=CN3)S(=O)(=O)C4=C(SC(=C4)C(=O)O)SC

InChI

InChI=1S/C20H16N2O4S3/c1-11-5-3-4-6-13(11)14-7-12(8-15-18(14)22-10-21-15)29(25,26)17-9-16(19(23)24)28-20(17)27-2/h3-10H,1-2H3,(H,21,22)(H,23,24)