(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-thienyl)thiazole-4-carboxylate CAS Name: 2-thiophen-2-yl-4-thiazolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(2-thienyl)thiazole-4-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H12N2O6S2 MolecularWeight: 404.41698

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CSC(=N3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CSC(=N3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O6S2/c20-17(13-8-27-16(18-13)14-2-1-3-26-14)24-7-11-5-12(19(21)22)4-10-6-23-9-25-15(10)11/h1-5,8H,6-7,9H2