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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1C2=NC(=C(S2)C(=O)O)C)Br)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1C2=NC(=C(S2)C(=O)O)C)Br)OC

InChI

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