2-methylpropyl 2-[3-(1,3-benzoxazol-2-ylsulfanyl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: 2-methylpropyl 2-[3-(1,3-benzoxazol-2-ylsulfanyl)-2-oxidanyl-propoxy]benzoate Openeye Name: isobutyl 2-[3-(1,3-benzoxazol-2-ylsulfanyl)-2-hydroxy-propoxy]benzoate CAS Name: 2-[3-(1,3-benzoxazol-2-ylthio)-2-hydroxypropoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[3-(1,3-benzoxazol-2-ylsulfanyl)-2-hydroxypropoxy]benzoate Traditional Name: 2-[3-(1,3-benzoxazol-2-ylthio)-2-hydroxy-propoxy]benzoic acid isobutyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=CC=C1OCC(CSC2=NC3=CC=CC=C3O2)O

Isomeric SMILES

CC(C)COC(=O)C1=CC=CC=C1OCC(CSC2=NC3=CC=CC=C3O2)O

InChI

InChI=1S/C21H23NO5S/c1-14(2)11-26-20(24)16-7-3-5-9-18(16)25-12-15(23)13-28-21-22-17-8-4-6-10-19(17)27-21/h3-10,14-15,23H,11-13H2,1-2H3