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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC3C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC3C(=O)O

InChI

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