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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-(ethylcarbamoyl)-5-(2-phenylethenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(ethylcarbamoyl)-5-styryl-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-(ethylcarbamoyl)-5-(2-phenylethenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(ethylcarbamoyl)-5-(2-phenylethenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(ethylcarbamoyl)-5-styryl-3-(2-thienyl)proline Formula: C27H25ClN2O4S MolecularWeight: 509.0164

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1C(C(C(C1C(=O)O)C2=CC=CS2)C(=O)C3=CC(=CC=C3)Cl)C=CC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)N1C(C(C(C1C(=O)O)C2=CC=CS2)C(=O)C3=CC(=CC=C3)Cl)C=CC4=CC=CC=C4

InChI

InChI=1S/C27H25ClN2O4S/c1-2-29-27(34)30-20(14-13-17-8-4-3-5-9-17)22(25(31)18-10-6-11-19(28)16-18)23(24(30)26(32)33)21-12-7-15-35-21/h3-16,20,22-24H,2H2,1H3,(H,29,34)(H,32,33)