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

Systemtic Name: 2-(4-butoxy-3-chloranyl-5-ethoxy-phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(4-butoxy-3-chloro-5-ethoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(4-butoxy-3-chloro-5-ethoxyphenyl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(4-butoxy-3-chloro-5-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(4-butoxy-3-chloro-5-ethoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid Formula: C17H20ClNO4S MolecularWeight: 369.863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C2=NC(=C(S2)C(=O)O)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C2=NC(=C(S2)C(=O)O)C)OCC

InChI

InChI=1S/C17H20ClNO4S/c1-4-6-7-23-14-12(18)8-11(9-13(14)22-5-2)16-19-10(3)15(24-16)17(20)21/h8-9H,4-7H2,1-3H3,(H,20,21)