4-bromanyl-3-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid

Systemtic Name: 4-bromanyl-3-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid Openeye Name: 4-bromo-3-(thiazol-4-ylmethylsulfonyl)benzoic acid CAS Name: 4-bromo-3-(4-thiazolylmethylsulfonyl)benzoic acid IUPAC Name: 4-bromo-3-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid Traditional Name: 4-bromo-3-(thiazol-4-ylmethylsulfonyl)benzoic acid Formula: C11H8BrNO4S2 MolecularWeight: 362.21952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2=CSC=N2)Br

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2=CSC=N2)Br

InChI

InChI=1S/C11H8BrNO4S2/c12-9-2-1-7(11(14)15)3-10(9)19(16,17)5-8-4-18-6-13-8/h1-4,6H,5H2,(H,14,15)