1-[(5-chloranylthiophen-2-yl)-(2,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(2,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(2,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(2,5-dimethylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(2,5-dimethylphenyl)methyl]proline Formula: C18H20ClNO2S MolecularWeight: 349.8749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC=C(S2)Cl)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC=C(S2)Cl)N3CCCC3C(=O)O

InChI

InChI=1S/C18H20ClNO2S/c1-11-5-6-12(2)13(10-11)17(15-7-8-16(19)23-15)20-9-3-4-14(20)18(21)22/h5-8,10,14,17H,3-4,9H2,1-2H3,(H,21,22)