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

Systemtic Name: methyl 1-(phenylcarbonyl)-5-piperazin-1-ylcarbonyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: methyl 1-benzoyl-5-(piperazine-1-carbonyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-benzoyl-5-[oxo(1-piperazinyl)methyl]-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzoyl-5-(piperazine-1-carbonyl)-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 1-benzoyl-5-(piperazine-1-carbonyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(N(C1C2=CC=CS2)C(=O)C3=CC=CC=C3)C(=O)N4CCNCC4

Isomeric SMILES

COC(=O)C1CC(N(C1C2=CC=CS2)C(=O)C3=CC=CC=C3)C(=O)N4CCNCC4

InChI

InChI=1S/C22H25N3O4S/c1-29-22(28)16-14-17(21(27)24-11-9-23-10-12-24)25(19(16)18-8-5-13-30-18)20(26)15-6-3-2-4-7-15/h2-8,13,16-17,19,23H,9-12,14H2,1H3