(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H14N2O6S2 MolecularWeight: 454.47566

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O6S2/c24-21(18-6-5-17(30-18)20-22-15-3-1-2-4-16(15)31-20)28-10-13-8-14(23(25)26)7-12-9-27-11-29-19(12)13/h1-8H,9-11H2