(4,5-dimethoxy-2-methyl-phenyl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)CCCSC2=NC3=CC=CC=C3S2)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)CCCSC2=NC3=CC=CC=C3S2)OC)OC

InChI

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