2-methylpropyl 4-[[4-(2-oxidanylpropylsulfanyl)-1,3-benzothiazol-2-yl]oxy]benzoate

Systemtic Name: 2-methylpropyl 4-[[4-(2-oxidanylpropylsulfanyl)-1,3-benzothiazol-2-yl]oxy]benzoate Openeye Name: isobutyl 4-[[4-(2-hydroxypropylsulfanyl)-1,3-benzothiazol-2-yl]oxy]benzoate CAS Name: 4-[[4-(2-hydroxypropylthio)-1,3-benzothiazol-2-yl]oxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[4-(2-hydroxypropylsulfanyl)-1,3-benzothiazol-2-yl]oxy]benzoate Traditional Name: 4-[[4-(2-hydroxypropylthio)-1,3-benzothiazol-2-yl]oxy]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)OC2=NC3=C(S2)C=CC=C3SCC(C)O

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)OC2=NC3=C(S2)C=CC=C3SCC(C)O

InChI

InChI=1S/C21H23NO4S2/c1-13(2)11-25-20(24)15-7-9-16(10-8-15)26-21-22-19-17(27-12-14(3)23)5-4-6-18(19)28-21/h4-10,13-14,23H,11-12H2,1-3H3