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

Systemtic Name: 2-(3-bromanyl-4-butoxy-5-methoxy-phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(3-bromo-4-butoxy-5-methoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(3-bromo-4-butoxy-5-methoxyphenyl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(3-bromo-4-butoxy-5-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(3-bromo-4-butoxy-5-methoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid Formula: C16H18BrNO4S MolecularWeight: 400.28742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C2=NC(=C(S2)C(=O)O)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C2=NC(=C(S2)C(=O)O)C)OC

InChI

InChI=1S/C16H18BrNO4S/c1-4-5-6-22-13-11(17)7-10(8-12(13)21-3)15-18-9(2)14(23-15)16(19)20/h7-8H,4-6H2,1-3H3,(H,19,20)