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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-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]-4-phenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorobenzyl)carbamoyl]-4-phenyl-1-(2-thenoyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C32H27FN2O6S MolecularWeight: 586.629983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(N(C1C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CS4)C(=O)NCC5=CC=C(C=C5)F)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1C(C(N(C1C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CS4)C(=O)NCC5=CC=C(C=C5)F)C6=CC=CC=C6

InChI

InChI=1S/C32H27FN2O6S/c1-39-32(38)27-26(20-6-3-2-4-7-20)29(30(36)34-17-19-9-12-22(33)13-10-19)35(31(37)25-8-5-15-42-25)28(27)21-11-14-23-24(16-21)41-18-40-23/h2-16,26-29H,17-18H2,1H3,(H,34,36)