2-(3-bromanyl-5-methoxy-4-pentoxy-phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-pentoxy-phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(3-bromo-5-methoxy-4-pentoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(3-bromo-5-methoxy-4-pentoxyphenyl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(3-bromo-5-methoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(4-amoxy-3-bromo-5-methoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid Formula: C17H20BrNO4S MolecularWeight: 414.314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Br)C2=NC(=C(S2)C(=O)O)C)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Br)C2=NC(=C(S2)C(=O)O)C)OC

InChI

InChI=1S/C17H20BrNO4S/c1-4-5-6-7-23-14-12(18)8-11(9-13(14)22-3)16-19-10(2)15(24-16)17(20)21/h8-9H,4-7H2,1-3H3,(H,20,21)