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

Systemtic Name: 4-[(7-bromanyl-3H-benzimidazol-5-yl)sulfonyl]-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-[(7-bromo-3H-benzimidazol-5-yl)sulfonyl]-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-[(7-bromo-3H-benzimidazol-5-yl)sulfonyl]-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-[(7-bromo-3H-benzimidazol-5-yl)sulfonyl]-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-[(7-bromo-3H-benzimidazol-5-yl)sulfonyl]-5-(methylthio)-2-thenoic acid Formula: C13H9BrN2O4S3 MolecularWeight: 433.32056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C3C(=C2)NC=N3)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C3C(=C2)NC=N3)Br

InChI

InChI=1S/C13H9BrN2O4S3/c1-21-13-10(4-9(22-13)12(17)18)23(19,20)6-2-7(14)11-8(3-6)15-5-16-11/h2-5H,1H3,(H,15,16)(H,17,18)