2-(4-butoxyphenyl)-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-(4-butoxyphenyl)-1,3-thiazole-4-carboxylic acid Openeye Name: 2-(4-butoxyphenyl)thiazole-4-carboxylic acid CAS Name: 2-(4-butoxyphenyl)-4-thiazolecarboxylic acid IUPAC Name: 2-(4-butoxyphenyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(4-butoxyphenyl)thiazole-4-carboxylic acid Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=CS2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=CS2)C(=O)O

InChI

InChI=1S/C14H15NO3S/c1-2-3-8-18-11-6-4-10(5-7-11)13-15-12(9-19-13)14(16)17/h4-7,9H,2-3,8H2,1H3,(H,16,17)