3-[(2-carboxy-5-phenyl-thiophen-3-yl)-(2,4-dichlorophenyl)carbonyl-amino]pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[(2-carboxy-5-phenyl-thiophen-3-yl)-(2,4-dichlorophenyl)carbonyl-amino]pyrrolidine-1-carboxylic acid Openeye Name: 3-[(2-carboxy-5-phenyl-3-thienyl)-(2,4-dichlorobenzoyl)amino]pyrrolidine-1-carboxylic acid CAS Name: 3-[(2-carboxy-5-phenyl-3-thiophenyl)-[(2,4-dichlorophenyl)-oxomethyl]amino]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]pyrrolidine-1-carboxylic acid Traditional Name: 3-[(2-carboxy-5-phenyl-3-thienyl)-(2,4-dichlorobenzoyl)amino]pyrrolidine-1-carboxylic acid Formula: C23H18Cl2N2O5S MolecularWeight: 505.37042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1CN(CC1N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C23H18Cl2N2O5S/c24-14-6-7-16(17(25)10-14)21(28)27(15-8-9-26(12-15)23(31)32)18-11-19(33-20(18)22(29)30)13-4-2-1-3-5-13/h1-7,10-11,15H,8-9,12H2,(H,29,30)(H,31,32)