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

Systemtic Name: 2-(3-chloranyl-4-hexoxy-5-methoxy-phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(3-chloro-4-hexoxy-5-methoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(3-chloro-4-hexoxy-5-methoxyphenyl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(3-chloro-4-hexoxy-5-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(3-chloro-4-hexoxy-5-methoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid Formula: C18H22ClNO4S MolecularWeight: 383.88958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO4S/c1-4-5-6-7-8-24-15-13(19)9-12(10-14(15)23-3)17-20-11(2)16(25-17)18(21)22/h9-10H,4-8H2,1-3H3,(H,21,22)