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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-methyl-2-(3-thienyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-(3-thiophenyl)-5-thiazolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(3-thienyl)thiazole-5-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H14N2O6S2 MolecularWeight: 418.44356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CSC=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=C(SC(=N1)C2=CSC=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C18H14N2O6S2/c1-10-16(28-17(19-10)11-2-3-27-8-11)18(21)25-7-13-5-14(20(22)23)4-12-6-24-9-26-15(12)13/h2-5,8H,6-7,9H2,1H3