1-[(3,4-dichlorophenyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(4-methyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(4-methyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(4-methyl-2-thienyl)methyl]proline Formula: C17H17Cl2NO2S MolecularWeight: 370.29338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC3C(=O)O

InChI

InChI=1S/C17H17Cl2NO2S/c1-10-7-15(23-9-10)16(11-4-5-12(18)13(19)8-11)20-6-2-3-14(20)17(21)22/h4-5,7-9,14,16H,2-3,6H2,1H3,(H,21,22)