2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]octanoic acid

Systemtic Name: 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]octanoic acid Openeye Name: 2-(4,5-diphenyloxazol-2-yl)sulfanyloctanoic acid CAS Name: 2-[(4,5-diphenyl-2-oxazolyl)thio]octanoic acid IUPAC Name: 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]octanoic acid Traditional Name: 2-[(4,5-diphenyloxazol-2-yl)thio]caprylic acid Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H25NO3S/c1-2-3-4-11-16-19(22(25)26)28-23-24-20(17-12-7-5-8-13-17)21(27-23)18-14-9-6-10-15-18/h5-10,12-15,19H,2-4,11,16H2,1H3,(H,25,26)