1-[(3-chlorophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)-(5-ethyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-chlorophenyl)-(5-ethyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-chlorophenyl)-(5-ethyl-2-thienyl)methyl]proline Formula: C18H20ClNO2S MolecularWeight: 349.8749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO2S/c1-2-14-8-9-16(23-14)17(12-5-3-6-13(19)11-12)20-10-4-7-15(20)18(21)22/h3,5-6,8-9,11,15,17H,2,4,7,10H2,1H3,(H,21,22)