4-(3-chlorophenyl)carbonyl-1-cyclobutylcarbonyl-2-methyl-5-(3-methylthiophen-2-yl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-cyclobutylcarbonyl-2-methyl-5-(3-methylthiophen-2-yl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-2-methyl-5-(3-methyl-2-thienyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[cyclobutyl(oxo)methyl]-2-methyl-5-(3-methyl-2-thiophenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-2-methyl-5-(3-methylthiophen-2-yl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(cyclobutanecarbonyl)-2-methyl-5-(3-methyl-2-thienyl)-3-(2-thienyl)proline Formula: C27H26ClNO4S2 MolecularWeight: 528.08264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(C(N2C(=O)C3CCC3)(C)C(=O)O)C4=CC=CS4)C(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=C(SC=C1)C2C(C(C(N2C(=O)C3CCC3)(C)C(=O)O)C4=CC=CS4)C(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H26ClNO4S2/c1-15-11-13-35-24(15)22-20(23(30)17-8-4-9-18(28)14-17)21(19-10-5-12-34-19)27(2,26(32)33)29(22)25(31)16-6-3-7-16/h4-5,8-14,16,20-22H,3,6-7H2,1-2H3,(H,32,33)