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

Systemtic Name: 4-methyl-3-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid Openeye Name: 4-methyl-3-(thiazol-4-ylmethylsulfonyl)benzoic acid CAS Name: 4-methyl-3-(4-thiazolylmethylsulfonyl)benzoic acid IUPAC Name: 4-methyl-3-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid Traditional Name: 4-methyl-3-(thiazol-4-ylmethylsulfonyl)benzoic acid Formula: C12H11NO4S2 MolecularWeight: 297.35004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CSC=N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CSC=N2

InChI

InChI=1S/C12H11NO4S2/c1-8-2-3-9(12(14)15)4-11(8)19(16,17)6-10-5-18-7-13-10/h2-5,7H,6H2,1H3,(H,14,15)