1-[(5-chloranylthiophen-2-yl)-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(2,3-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(2,3-dimethoxyphenyl)methyl]proline Formula: C18H20ClNO4S MolecularWeight: 381.8737

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC=C(S2)Cl)N3CCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC=C(S2)Cl)N3CCCC3C(=O)O

InChI

InChI=1S/C18H20ClNO4S/c1-23-13-7-3-5-11(17(13)24-2)16(14-8-9-15(19)25-14)20-10-4-6-12(20)18(21)22/h3,5,7-9,12,16H,4,6,10H2,1-2H3,(H,21,22)