methyl 5-piperazin-1-ylcarbonyl-1-(propylcarbamoyl)-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 5-piperazin-1-ylcarbonyl-1-(propylcarbamoyl)-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: methyl 5-(piperazine-1-carbonyl)-1-(propylcarbamoyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 5-[oxo(1-piperazinyl)methyl]-1-[oxo(propylamino)methyl]-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 5-(piperazine-1-carbonyl)-1-(propylcarbamoyl)-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 5-(piperazine-1-carbonyl)-1-(propylcarbamoyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C19H28N4O4S MolecularWeight: 408.51502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1C(CC(C1C2=CC=CS2)C(=O)OC)C(=O)N3CCNCC3

Isomeric SMILES

CCCNC(=O)N1C(CC(C1C2=CC=CS2)C(=O)OC)C(=O)N3CCNCC3

InChI

InChI=1S/C19H28N4O4S/c1-3-6-21-19(26)23-14(17(24)22-9-7-20-8-10-22)12-13(18(25)27-2)16(23)15-5-4-11-28-15/h4-5,11,13-14,16,20H,3,6-10,12H2,1-2H3,(H,21,26)