2-methoxy-5-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid

Systemtic Name: 2-methoxy-5-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid Openeye Name: 2-methoxy-5-(thiazol-4-ylmethylsulfonyl)benzoic acid CAS Name: 2-methoxy-5-(4-thiazolylmethylsulfonyl)benzoic acid IUPAC Name: 2-methoxy-5-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid Traditional Name: 2-methoxy-5-(thiazol-4-ylmethylsulfonyl)benzoic acid Formula: C12H11NO5S2 MolecularWeight: 313.34944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)CC2=CSC=N2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)CC2=CSC=N2)C(=O)O

InChI

InChI=1S/C12H11NO5S2/c1-18-11-3-2-9(4-10(11)12(14)15)20(16,17)6-8-5-19-7-13-8/h2-5,7H,6H2,1H3,(H,14,15)