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

Systemtic Name: methyl 1-(3-methylbutanoyl)-5-piperazin-1-ylcarbonyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: methyl 1-(3-methylbutanoyl)-5-(piperazine-1-carbonyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-(3-methyl-1-oxobutyl)-5-[oxo(1-piperazinyl)methyl]-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-methylbutanoyl)-5-(piperazine-1-carbonyl)-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 1-isovaleryl-5-(piperazine-1-carbonyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S/c1-13(2)11-17(24)23-15(19(25)22-8-6-21-7-9-22)12-14(20(26)27-3)18(23)16-5-4-10-28-16/h4-5,10,13-15,18,21H,6-9,11-12H2,1-3H3