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

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorobenzyl)carbamoyl]-1-(2-thenoyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C27H25FN2O6S MolecularWeight: 524.560603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CS4)C(=O)NCC5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CS4)C(=O)NCC5=CC=C(C=C5)F

InChI

InChI=1S/C27H25FN2O6S/c1-2-34-27(33)19-13-20(25(31)29-14-16-5-8-18(28)9-6-16)30(26(32)23-4-3-11-37-23)24(19)17-7-10-21-22(12-17)36-15-35-21/h3-12,19-20,24H,2,13-15H2,1H3,(H,29,31)