2-(1,3-oxazol-2-ylsulfanyl)-2,3-diphenyl-octanoic acid

Systemtic Name: 2-(1,3-oxazol-2-ylsulfanyl)-2,3-diphenyl-octanoic acid Openeye Name: 2-oxazol-2-ylsulfanyl-2,3-diphenyl-octanoic acid CAS Name: 2-(2-oxazolylthio)-2,3-diphenyloctanoic acid IUPAC Name: 2-(1,3-oxazol-2-ylsulfanyl)-2,3-diphenyloctanoic acid Traditional Name: 2-(oxazol-2-ylthio)-2,3-diphenyl-caprylic acid Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC=C1)C(C2=CC=CC=C2)(C(=O)O)SC3=NC=CO3

Isomeric SMILES

CCCCCC(C1=CC=CC=C1)C(C2=CC=CC=C2)(C(=O)O)SC3=NC=CO3

InChI

InChI=1S/C23H25NO3S/c1-2-3-6-15-20(18-11-7-4-8-12-18)23(21(25)26,19-13-9-5-10-14-19)28-22-24-16-17-27-22/h4-5,7-14,16-17,20H,2-3,6,15H2,1H3,(H,25,26)