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

Systemtic Name: 2-(4-hexoxy-3-methoxy-phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(4-hexoxy-3-methoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(4-hexoxy-3-methoxyphenyl)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(4-hexoxy-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(4-hexoxy-3-methoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)OC

InChI

InChI=1S/C18H23NO4S/c1-4-5-6-7-10-23-14-9-8-13(11-15(14)22-3)17-19-12(2)16(24-17)18(20)21/h8-9,11H,4-7,10H2,1-3H3,(H,20,21)