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

Systemtic Name: ethyl 5-piperazin-1-ylcarbonyl-1-(propylcarbamoyl)-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O4S/c1-3-7-22-20(27)24-15(18(25)23-10-8-21-9-11-23)13-14(19(26)28-4-2)17(24)16-6-5-12-29-16/h5-6,12,14-15,17,21H,3-4,7-11,13H2,1-2H3,(H,22,27)