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

Systemtic Name: ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-1-pyridin-3-ylcarbonyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-1-(pyridine-3-carbonyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 5-[[(4-fluorophenyl)methylamino]-oxomethyl]-1-[oxo(3-pyridinyl)methyl]-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-1-(pyridine-3-carbonyl)-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 5-[(4-fluorobenzyl)carbamoyl]-1-nicotinoyl-2-(2-thienyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C25H24FN3O4S MolecularWeight: 481.539163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)C3=CN=CC=C3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)C3=CN=CC=C3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN3O4S/c1-2-33-25(32)19-13-20(23(30)28-14-16-7-9-18(26)10-8-16)29(22(19)21-6-4-12-34-21)24(31)17-5-3-11-27-15-17/h3-12,15,19-20,22H,2,13-14H2,1H3,(H,28,30)