ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-1-propylsulfonyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-1-propylsulfonyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-1-propylsulfonyl-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 5-[[(4-fluorophenyl)methylamino]-oxomethyl]-1-propylsulfonyl-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-1-propylsulfonyl-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 5-[(4-fluorobenzyl)carbamoyl]-1-propylsulfonyl-2-(2-thienyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C22H27FN2O5S2 MolecularWeight: 482.588583

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1C(CC(C1C2=CC=CS2)C(=O)OCC)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCS(=O)(=O)N1C(CC(C1C2=CC=CS2)C(=O)OCC)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O5S2/c1-3-12-32(28,29)25-18(21(26)24-14-15-7-9-16(23)10-8-15)13-17(22(27)30-4-2)20(25)19-6-5-11-31-19/h5-11,17-18,20H,3-4,12-14H2,1-2H3,(H,24,26)