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

Systemtic Name: methyl 1-(phenylcarbamoyl)-5-piperazin-1-ylcarbonyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: methyl 1-(phenylcarbamoyl)-5-(piperazine-1-carbonyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-[anilino(oxo)methyl]-5-[oxo(1-piperazinyl)methyl]-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(phenylcarbamoyl)-5-(piperazine-1-carbonyl)-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 1-(phenylcarbamoyl)-5-(piperazine-1-carbonyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(N(C1C2=CC=CS2)C(=O)NC3=CC=CC=C3)C(=O)N4CCNCC4

Isomeric SMILES

COC(=O)C1CC(N(C1C2=CC=CS2)C(=O)NC3=CC=CC=C3)C(=O)N4CCNCC4

InChI

InChI=1S/C22H26N4O4S/c1-30-21(28)16-14-17(20(27)25-11-9-23-10-12-25)26(19(16)18-8-5-13-31-18)22(29)24-15-6-3-2-4-7-15/h2-8,13,16-17,19,23H,9-12,14H2,1H3,(H,24,29)