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

Systemtic Name: 2-methylpropyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)propoxy]benzoate Openeye Name: isobutyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)propoxy]benzoate CAS Name: 4-[2-(1,3-benzothiazol-2-ylthio)propoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)propoxy]benzoate Traditional Name: 4-[2-(1,3-benzothiazol-2-ylthio)propoxy]benzoic acid isobutyl ester Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)OCC(C)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)OCC(C)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23NO3S2/c1-14(2)12-25-20(23)16-8-10-17(11-9-16)24-13-15(3)26-21-22-18-6-4-5-7-19(18)27-21/h4-11,14-15H,12-13H2,1-3H3