(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H16N2O6S2 MolecularWeight: 444.48084

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3SCC4=CSC=N4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3SCC4=CSC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O6S2/c23-20(17-3-1-2-4-18(17)30-10-15-9-29-11-21-15)27-8-14-6-16(22(24)25)5-13-7-26-12-28-19(13)14/h1-6,9,11H,7-8,10,12H2