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

Systemtic Name: 2-(3-bromanyl-2-butoxy-5-chloranyl-phenyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(3-bromo-2-butoxy-5-chloro-phenyl)thiazole-4-carboxylic acid CAS Name: 2-(3-bromo-2-butoxy-5-chlorophenyl)-4-thiazolecarboxylic acid IUPAC Name: 2-(3-bromo-2-butoxy-5-chlorophenyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(3-bromo-2-butoxy-5-chloro-phenyl)thiazole-4-carboxylic acid Formula: C14H13BrClNO3S MolecularWeight: 390.67992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1C2=NC(=CS2)C(=O)O)Cl)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1C2=NC(=CS2)C(=O)O)Cl)Br

InChI

InChI=1S/C14H13BrClNO3S/c1-2-3-4-20-12-9(5-8(16)6-10(12)15)13-17-11(7-21-13)14(18)19/h5-7H,2-4H2,1H3,(H,18,19)