2-methylpropyl 4-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: 2-methylpropyl 4-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-propoxy]benzoate Openeye Name: isobutyl 4-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-(1,3-benzothiazol-2-ylthio)-2-hydroxypropoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-(1,3-benzothiazol-2-ylthio)-2-hydroxy-propoxy]benzoic acid isobutyl ester Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)OCC(CSC2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)OCC(CSC2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C21H23NO4S2/c1-14(2)11-26-20(24)15-7-9-17(10-8-15)25-12-16(23)13-27-21-22-18-5-3-4-6-19(18)28-21/h3-10,14,16,23H,11-13H2,1-2H3