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

Systemtic Name: 3-bromanyl-5-ethoxy-4-(1,3-thiazol-4-ylmethoxy)benzoic acid Openeye Name: 3-bromo-5-ethoxy-4-(thiazol-4-ylmethoxy)benzoic acid CAS Name: 3-bromo-5-ethoxy-4-(4-thiazolylmethoxy)benzoic acid IUPAC Name: 3-bromo-5-ethoxy-4-(1,3-thiazol-4-ylmethoxy)benzoic acid Traditional Name: 3-bromo-5-ethoxy-4-(thiazol-4-ylmethoxy)benzoic acid Formula: C13H12BrNO4S MolecularWeight: 358.20768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC2=CSC=N2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC2=CSC=N2

InChI

InChI=1S/C13H12BrNO4S/c1-2-18-11-4-8(13(16)17)3-10(14)12(11)19-5-9-6-20-7-15-9/h3-4,6-7H,2,5H2,1H3,(H,16,17)