5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-2-methyl-1-(phenylcarbonyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-2-methyl-1-(phenylcarbonyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-benzoyl-3-(4-tert-butylphenyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-1-benzoyl-3-(4-tert-butylphenyl)-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-benzoyl-3-(4-tert-butylphenyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-benzoyl-3-(4-tert-butylphenyl)-2-methyl-4-(2-thenoyl)proline Formula: C35H33NO6S MolecularWeight: 595.70462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5)C6=CC=C(C=C6)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5)C6=CC=C(C=C6)C(C)(C)C)C(=O)O

InChI

InChI=1S/C35H33NO6S/c1-34(2,3)24-15-12-21(13-16-24)29-28(31(37)27-11-8-18-43-27)30(23-14-17-25-26(19-23)42-20-41-25)36(35(29,4)33(39)40)32(38)22-9-6-5-7-10-22/h5-19,28-30H,20H2,1-4H3,(H,39,40)