1-[(2,3-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,3-dimethoxyphenyl)-[4-(methylthio)phenyl]methyl]proline Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-25-18-8-4-6-16(20(18)26-2)19(14-9-11-15(27-3)12-10-14)22-13-5-7-17(22)21(23)24/h4,6,8-12,17,19H,5,7,13H2,1-3H3,(H,23,24)