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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (6-nitro-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-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-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-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6S/c23-19(7-3-6-18-21-16-4-1-2-5-17(16)29-18)27-11-14-9-15(22(24)25)8-13-10-26-12-28-20(13)14/h1-2,4-5,8-9H,3,6-7,10-12H2