5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(3-fluorophenyl)carbonyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(3-fluorophenyl)carbonyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(3-fluorobenzoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-[(3-fluorophenyl)-oxomethyl]-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(3-fluorobenzoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(3-fluorobenzoyl)-4-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C34H31FN2O5S MolecularWeight: 598.683743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)N)C(=O)C3=CC(=CC=C3)F)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CS6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)N)C(=O)C3=CC(=CC=C3)F)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CS6

InChI

InChI=1S/C34H31FN2O5S/c1-34(2,3)22-12-9-19(10-13-22)27-28(31(38)26-8-5-15-43-26)29(20-11-14-24-25(17-20)42-18-41-24)37(30(27)32(36)39)33(40)21-6-4-7-23(35)16-21/h4-17,27-30H,18H2,1-3H3,(H2,36,39)