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

Systemtic Name: 2-(3-bromanyl-4-pentoxy-phenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(3-bromo-4-pentoxy-phenyl)-4-ethyl-thiazole-5-carboxylic acid CAS Name: 2-(3-bromo-4-pentoxyphenyl)-4-ethyl-5-thiazolecarboxylic acid IUPAC Name: 2-(3-bromo-4-pentoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(4-amoxy-3-bromo-phenyl)-4-ethyl-thiazole-5-carboxylic acid Formula: C17H20BrNO3S MolecularWeight: 398.3146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)CC)Br

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)CC)Br

InChI

InChI=1S/C17H20BrNO3S/c1-3-5-6-9-22-14-8-7-11(10-12(14)18)16-19-13(4-2)15(23-16)17(20)21/h7-8,10H,3-6,9H2,1-2H3,(H,20,21)