2-[2-[4-(5-phenylpentylsulfanyl)phenoxy]ethanoyl]-1,3-benzoxazole-5-carboxylic acid

Systemtic Name: 2-[2-[4-(5-phenylpentylsulfanyl)phenoxy]ethanoyl]-1,3-benzoxazole-5-carboxylic acid Openeye Name: 2-[2-[4-(5-phenylpentylsulfanyl)phenoxy]acetyl]-1,3-benzoxazole-5-carboxylic acid CAS Name: 2-[1-oxo-2-[4-(5-phenylpentylthio)phenoxy]ethyl]-1,3-benzoxazole-5-carboxylic acid IUPAC Name: 2-[2-[4-(5-phenylpentylsulfanyl)phenoxy]acetyl]-1,3-benzoxazole-5-carboxylic acid Traditional Name: 2-[2-[4-(5-phenylpentylthio)phenoxy]acetyl]-1,3-benzoxazole-5-carboxylic acid Formula: C27H25NO5S MolecularWeight: 475.5561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCSC2=CC=C(C=C2)OCC(=O)C3=NC4=C(O3)C=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCSC2=CC=C(C=C2)OCC(=O)C3=NC4=C(O3)C=CC(=C4)C(=O)O

InChI

InChI=1S/C27H25NO5S/c29-24(26-28-23-17-20(27(30)31)10-15-25(23)33-26)18-32-21-11-13-22(14-12-21)34-16-6-2-5-9-19-7-3-1-4-8-19/h1,3-4,7-8,10-15,17H,2,5-6,9,16,18H2,(H,30,31)