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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-cyclopropylcarbonyl-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(cyclopropanecarbonyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-[cyclopropyl(oxo)methyl]-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(cyclopropanecarbonyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(cyclopropanecarbonyl)-2-methyl-4-(2-thenoyl)proline Formula: C32H33NO6S MolecularWeight: 559.67252

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CC2)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)C2CC2)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/C32H33NO6S/c1-31(2,3)21-12-9-18(10-13-21)26-25(28(34)24-6-5-15-40-24)27(20-11-14-22-23(16-20)39-17-38-22)33(29(35)19-7-8-19)32(26,4)30(36)37/h5-6,9-16,19,25-27H,7-8,17H2,1-4H3,(H,36,37)