4-(3-chlorophenyl)carbonyl-1-cyclopropylcarbonyl-5-(2-phenylethenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-cyclopropylcarbonyl-5-(2-phenylethenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(cyclopropanecarbonyl)-5-styryl-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[cyclopropyl(oxo)methyl]-5-(2-phenylethenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(cyclopropanecarbonyl)-5-(2-phenylethenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(cyclopropanecarbonyl)-5-styryl-3-(2-thienyl)proline Formula: C28H24ClNO4S MolecularWeight: 506.01246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C=CC5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C=CC5=CC=CC=C5

InChI

InChI=1S/C28H24ClNO4S/c29-20-9-4-8-19(16-20)26(31)23-21(14-11-17-6-2-1-3-7-17)30(27(32)18-12-13-18)25(28(33)34)24(23)22-10-5-15-35-22/h1-11,14-16,18,21,23-25H,12-13H2,(H,33,34)