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

Systemtic Name: 2-bromanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]benzoic acid Openeye Name: 2-bromo-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic acid CAS Name: 2-bromo-5-[(2-methyl-4-thiazolyl)methylsulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]benzoic acid Traditional Name: 2-bromo-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic acid Formula: C12H10BrNO4S2 MolecularWeight: 376.2461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10BrNO4S2/c1-7-14-8(5-19-7)6-20(17,18)9-2-3-11(13)10(4-9)12(15)16/h2-5H,6H2,1H3,(H,15,16)