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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)O

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)O

InChI

InChI=1S/C17H21NO3S/c1-2-3-4-7-10-21-15-9-6-5-8-14(15)17-18-13(12-22-17)11-16(19)20/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H,19,20)