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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-thiophen-2-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-thiophen-2-ylmethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-thiophen-2-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,3-dimethoxyphenyl)-(2-thienyl)methyl]proline Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC=CS2)N3CCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC=CS2)N3CCCC3C(=O)O

InChI

InChI=1S/C18H21NO4S/c1-22-14-8-3-6-12(17(14)23-2)16(15-9-5-11-24-15)19-10-4-7-13(19)18(20)21/h3,5-6,8-9,11,13,16H,4,7,10H2,1-2H3,(H,20,21)