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

Systemtic Name: 2-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(3-chloro-5-ethoxy-4-propoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(3-chloro-5-ethoxy-4-propoxyphenyl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(3-chloro-5-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(3-chloro-5-ethoxy-4-propoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid Formula: C16H18ClNO4S MolecularWeight: 355.83642

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C2=NC(=C(S2)C(=O)O)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C2=NC(=C(S2)C(=O)O)C)OCC

InChI

InChI=1S/C16H18ClNO4S/c1-4-6-22-13-11(17)7-10(8-12(13)21-5-2)15-18-9(3)14(23-15)16(19)20/h7-8H,4-6H2,1-3H3,(H,19,20)