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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H20N2O7S MolecularWeight: 432.447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)NC(=O)C4CC4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)NC(=O)C4CC4)C

InChI

InChI=1S/C20H20N2O7S/c1-10-11(2)30-19(21-18(23)12-3-4-12)16(10)20(24)28-8-14-6-15(22(25)26)5-13-7-27-9-29-17(13)14/h5-6,12H,3-4,7-9H2,1-2H3,(H,21,23)