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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H18N2O7S MolecularWeight: 418.42042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C19H18N2O7S/c22-18(16-4-2-6-29-16)20-5-1-3-15(20)19(23)27-10-13-8-14(21(24)25)7-12-9-26-11-28-17(12)13/h2,4,6-8,15H,1,3,5,9-11H2