1-[(2,4-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2,4-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(5-ethyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(5-ethyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(5-ethyl-2-thienyl)methyl]proline Formula: C18H19Cl2NO2S MolecularWeight: 384.31996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC3C(=O)O

InChI

InChI=1S/C18H19Cl2NO2S/c1-2-12-6-8-16(24-12)17(13-7-5-11(19)10-14(13)20)21-9-3-4-15(21)18(22)23/h5-8,10,15,17H,2-4,9H2,1H3,(H,22,23)