3-(4-tert-butylphenyl)-1-cyclobutylcarbonyl-5-(2-phenylethenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-1-cyclobutylcarbonyl-5-(2-phenylethenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-(cyclobutanecarbonyl)-5-styryl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[cyclobutyl(oxo)methyl]-4-[oxo(thiophen-2-yl)methyl]-5-(2-phenylethenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-(cyclobutanecarbonyl)-5-(2-phenylethenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-(cyclobutanecarbonyl)-5-styryl-4-(2-thenoyl)proline Formula: C33H35NO4S MolecularWeight: 541.7003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)C3CCC3)C=CC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)C3CCC3)C=CC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C33H35NO4S/c1-33(2,3)24-17-15-22(16-18-24)27-28(30(35)26-13-8-20-39-26)25(19-14-21-9-5-4-6-10-21)34(29(27)32(37)38)31(36)23-11-7-12-23/h4-6,8-10,13-20,23,25,27-29H,7,11-12H2,1-3H3,(H,37,38)