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

Systemtic Name: 2-(3-hexoxy-4-methoxy-phenyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(3-hexoxy-4-methoxy-phenyl)thiazole-4-carboxylic acid CAS Name: 2-(3-hexoxy-4-methoxyphenyl)-4-thiazolecarboxylic acid IUPAC Name: 2-(3-hexoxy-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(3-hexoxy-4-methoxy-phenyl)thiazole-4-carboxylic acid Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC(=C1)C2=NC(=CS2)C(=O)O)OC

Isomeric SMILES

CCCCCCOC1=C(C=CC(=C1)C2=NC(=CS2)C(=O)O)OC

InChI

InChI=1S/C17H21NO4S/c1-3-4-5-6-9-22-15-10-12(7-8-14(15)21-2)16-18-13(11-23-16)17(19)20/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,20)