(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C17H12N2O6S2 MolecularWeight: 404.41698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=CSC(=N3)C4=CSC=C4

InChI

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