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

Systemtic Name: 2-(3-bromanyl-4-butoxy-5-methoxy-phenyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(3-bromo-4-butoxy-5-methoxy-phenyl)thiazole-4-carboxylic acid CAS Name: 2-(3-bromo-4-butoxy-5-methoxyphenyl)-4-thiazolecarboxylic acid IUPAC Name: 2-(3-bromo-4-butoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(3-bromo-4-butoxy-5-methoxy-phenyl)thiazole-4-carboxylic acid Formula: C15H16BrNO4S MolecularWeight: 386.26084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C2=NC(=CS2)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C2=NC(=CS2)C(=O)O)OC

InChI

InChI=1S/C15H16BrNO4S/c1-3-4-5-21-13-10(16)6-9(7-12(13)20-2)14-17-11(8-22-14)15(18)19/h6-8H,3-5H2,1-2H3,(H,18,19)