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

Systemtic Name: 4-ethyl-3-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid Openeye Name: 4-ethyl-3-(thiazol-4-ylmethylsulfonyl)benzoic acid CAS Name: 4-ethyl-3-(4-thiazolylmethylsulfonyl)benzoic acid IUPAC Name: 4-ethyl-3-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid Traditional Name: 4-ethyl-3-(thiazol-4-ylmethylsulfonyl)benzoic acid Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CSC=N2

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CSC=N2

InChI

InChI=1S/C13H13NO4S2/c1-2-9-3-4-10(13(15)16)5-12(9)20(17,18)7-11-6-19-8-14-11/h3-6,8H,2,7H2,1H3,(H,15,16)