2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]benzoic acid

Systemtic Name: 2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]benzoic acid Openeye Name: 2-methoxy-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic acid CAS Name: 2-methoxy-5-[(2-methyl-4-thiazolyl)methylsulfonyl]benzoic acid IUPAC Name: 2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]benzoic acid Traditional Name: 2-methoxy-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic acid Formula: C13H13NO5S2 MolecularWeight: 327.37602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)CS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C13H13NO5S2/c1-8-14-9(6-20-8)7-21(17,18)10-3-4-12(19-2)11(5-10)13(15)16/h3-6H,7H2,1-2H3,(H,15,16)