tert-butyl 2-[1-oxidanyl-2-[4-(5-phenylpentylsulfanyl)phenoxy]ethyl]-1,3-benzoxazole-5-carboxylate

Systemtic Name: tert-butyl 2-[1-oxidanyl-2-[4-(5-phenylpentylsulfanyl)phenoxy]ethyl]-1,3-benzoxazole-5-carboxylate Openeye Name: tert-butyl 2-[1-hydroxy-2-[4-(5-phenylpentylsulfanyl)phenoxy]ethyl]-1,3-benzoxazole-5-carboxylate CAS Name: 2-[1-hydroxy-2-[4-(5-phenylpentylthio)phenoxy]ethyl]-1,3-benzoxazole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-hydroxy-2-[4-(5-phenylpentylsulfanyl)phenoxy]ethyl]-1,3-benzoxazole-5-carboxylate Traditional Name: 2-[1-hydroxy-2-[4-(5-phenylpentylthio)phenoxy]ethyl]-1,3-benzoxazole-5-carboxylic acid tert-butyl ester Formula: C31H35NO5S MolecularWeight: 533.6783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(C=C1)OC(=N2)C(COC3=CC=C(C=C3)SCCCCCC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(C=C1)OC(=N2)C(COC3=CC=C(C=C3)SCCCCCC4=CC=CC=C4)O

InChI

InChI=1S/C31H35NO5S/c1-31(2,3)37-30(34)23-13-18-28-26(20-23)32-29(36-28)27(33)21-35-24-14-16-25(17-15-24)38-19-9-5-8-12-22-10-6-4-7-11-22/h4,6-7,10-11,13-18,20,27,33H,5,8-9,12,19,21H2,1-3H3