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

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C21H23NO4S MolecularWeight: 385.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)CCCC2=NC3=CC=CC=C3S2)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)CCCC2=NC3=CC=CC=C3S2)OC)OC

InChI

InChI=1S/C21H23NO4S/c1-14-11-17(24-2)18(25-3)12-15(14)13-26-21(23)10-6-9-20-22-16-7-4-5-8-19(16)27-20/h4-5,7-8,11-12H,6,9-10,13H2,1-3H3