3-bromanyl-5-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoic acid

Systemtic Name: 3-bromanyl-5-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoic acid Openeye Name: 3-bromo-5-methoxy-4-(thiazol-4-ylmethoxy)benzoic acid CAS Name: 3-bromo-5-methoxy-4-(4-thiazolylmethoxy)benzoic acid IUPAC Name: 3-bromo-5-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoic acid Traditional Name: 3-bromo-5-methoxy-4-(thiazol-4-ylmethoxy)benzoic acid Formula: C12H10BrNO4S MolecularWeight: 344.1811

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Br)OCC2=CSC=N2

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Br)OCC2=CSC=N2

InChI

InChI=1S/C12H10BrNO4S/c1-17-10-3-7(12(15)16)2-9(13)11(10)18-4-8-5-19-6-14-8/h2-3,5-6H,4H2,1H3,(H,15,16)