methyl 1-[(4-fluorophenyl)carbamoyl]-5-piperazin-1-ylcarbonyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 1-[(4-fluorophenyl)carbamoyl]-5-piperazin-1-ylcarbonyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: methyl 1-[(4-fluorophenyl)carbamoyl]-5-(piperazine-1-carbonyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-[(4-fluoroanilino)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-fluorophenyl)carbamoyl]-5-(piperazine-1-carbonyl)-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 1-[(4-fluorophenyl)carbamoyl]-5-(piperazine-1-carbonyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C22H25FN4O4S MolecularWeight: 460.521703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4O4S/c1-31-21(29)16-13-17(20(28)26-10-8-24-9-11-26)27(19(16)18-3-2-12-32-18)22(30)25-15-6-4-14(23)5-7-15/h2-7,12,16-17,19,24H,8-11,13H2,1H3,(H,25,30)