2-[2-(3-hexoxyphenyl)-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(3-hexoxyphenyl)-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-(3-hexoxyphenyl)thiazol-4-yl]acetic acid CAS Name: 2-[2-(3-hexoxyphenyl)-4-thiazolyl]acetic acid IUPAC Name: 2-[2-(3-hexoxyphenyl)-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-(3-hexoxyphenyl)thiazol-4-yl]acetic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3S/c1-2-3-4-5-9-21-15-8-6-7-13(10-15)17-18-14(12-22-17)11-16(19)20/h6-8,10,12H,2-5,9,11H2,1H3,(H,19,20)