2-methylpropyl 2-[3-[2-(1,3-benzothiazol-6-yloxy)ethylsulfanyl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: 2-methylpropyl 2-[3-[2-(1,3-benzothiazol-6-yloxy)ethylsulfanyl]-2-oxidanyl-propoxy]benzoate Openeye Name: isobutyl 2-[3-[2-(1,3-benzothiazol-6-yloxy)ethylsulfanyl]-2-hydroxy-propoxy]benzoate CAS Name: 2-[3-[2-(1,3-benzothiazol-6-yloxy)ethylthio]-2-hydroxypropoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[3-[2-(1,3-benzothiazol-6-yloxy)ethylsulfanyl]-2-hydroxypropoxy]benzoate Traditional Name: 2-[3-[2-(1,3-benzothiazol-6-yloxy)ethylthio]-2-hydroxy-propoxy]benzoic acid isobutyl ester Formula: C23H27NO5S2 MolecularWeight: 461.59418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=CC=C1OCC(CSCCOC2=CC3=C(C=C2)N=CS3)O

Isomeric SMILES

CC(C)COC(=O)C1=CC=CC=C1OCC(CSCCOC2=CC3=C(C=C2)N=CS3)O

InChI

InChI=1S/C23H27NO5S2/c1-16(2)12-29-23(26)19-5-3-4-6-21(19)28-13-17(25)14-30-10-9-27-18-7-8-20-22(11-18)31-15-24-20/h3-8,11,15-17,25H,9-10,12-14H2,1-2H3