2-(3-chloranyl-4-hexoxy-5-methoxy-phenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(3-chloranyl-4-hexoxy-5-methoxy-phenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(3-chloro-4-hexoxy-5-methoxy-phenyl)-4-ethyl-thiazole-5-carboxylic acid CAS Name: 2-(3-chloro-4-hexoxy-5-methoxyphenyl)-4-ethyl-5-thiazolecarboxylic acid IUPAC Name: 2-(3-chloro-4-hexoxy-5-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(3-chloro-4-hexoxy-5-methoxy-phenyl)-4-ethyl-thiazole-5-carboxylic acid Formula: C19H24ClNO4S MolecularWeight: 397.91616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Cl)C2=NC(=C(S2)C(=O)O)CC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Cl)C2=NC(=C(S2)C(=O)O)CC)OC

InChI

InChI=1S/C19H24ClNO4S/c1-4-6-7-8-9-25-16-13(20)10-12(11-15(16)24-3)18-21-14(5-2)17(26-18)19(22)23/h10-11H,4-9H2,1-3H3,(H,22,23)