(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCCC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCCC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H20ClNO4S/c22-16-9-14-11-25-13-27-21(14)15(10-16)12-26-20(24)8-4-3-7-19-23-17-5-1-2-6-18(17)28-19/h1-2,5-6,9-10H,3-4,7-8,11-13H2