[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C19H18N2O6S MolecularWeight: 402.42102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N2O6S/c22-17(20-12-5-6-14-15(9-12)27-11-26-14)10-25-19(24)13-3-1-7-21(13)18(23)16-4-2-8-28-16/h2,4-6,8-9,13H,1,3,7,10-11H2,(H,20,22)