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

Systemtic Name: (2,5-dimethoxyphenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (2,5-dimethoxyphenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (2,5-dimethoxybenzyl) ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21NO4S/c1-23-15-10-11-17(24-2)14(12-15)13-25-20(22)9-5-8-19-21-16-6-3-4-7-18(16)26-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3