(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H18ClNO4S/c21-15-8-13-10-24-12-26-20(13)14(9-15)11-25-19(23)7-3-6-18-22-16-4-1-2-5-17(16)27-18/h1-2,4-5,8-9H,3,6-7,10-12H2