2-[4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]ethanoic acid Openeye Name: 2-[4-(thiazol-4-ylmethylsulfonyl)phenyl]acetic acid CAS Name: 2-[4-(4-thiazolylmethylsulfonyl)phenyl]acetic acid IUPAC Name: 2-[4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]acetic acid Traditional Name: 2-[4-(thiazol-4-ylmethylsulfonyl)phenyl]acetic acid Formula: C12H11NO4S2 MolecularWeight: 297.35004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)S(=O)(=O)CC2=CSC=N2

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)S(=O)(=O)CC2=CSC=N2

InChI

InChI=1S/C12H11NO4S2/c14-12(15)5-9-1-3-11(4-2-9)19(16,17)7-10-6-18-8-13-10/h1-4,6,8H,5,7H2,(H,14,15)