O3-ethyl O1-(phenylmethyl) 5-[(4-fluorophenyl)methylcarbamoyl]-2-thiophen-2-yl-pyrrolidine-1,3-dicarboxylate

Systemtic Name: O3-ethyl O1-(phenylmethyl) 5-[(4-fluorophenyl)methylcarbamoyl]-2-thiophen-2-yl-pyrrolidine-1,3-dicarboxylate Openeye Name: O1-benzyl O3-ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-2-(2-thienyl)pyrrolidine-1,3-dicarboxylate CAS Name: 5-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-thiophen-2-ylpyrrolidine-1,3-dicarboxylic acid O3-ethyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 3-O-ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrrolidine-1,3-dicarboxylate Traditional Name: 5-[(4-fluorobenzyl)carbamoyl]-2-(2-thienyl)pyrrolidine-1,3-dicarboxylic acid O1-benzyl ester O3-ethyl ester Formula: C27H27FN2O5S MolecularWeight: 510.577083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)OCC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)OCC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H27FN2O5S/c1-2-34-26(32)21-15-22(25(31)29-16-18-10-12-20(28)13-11-18)30(24(21)23-9-6-14-36-23)27(33)35-17-19-7-4-3-5-8-19/h3-14,21-22,24H,2,15-17H2,1H3,(H,29,31)