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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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