1-[(2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-methoxyphenyl)-[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-methoxyphenyl)-[4-(methylthio)phenyl]methyl]proline Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC=C(C=C2)SC)N3CCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC=C(C=C2)SC)N3CCCC3C(=O)O

InChI

InChI=1S/C20H23NO3S/c1-24-18-8-4-3-6-16(18)19(14-9-11-15(25-2)12-10-14)21-13-5-7-17(21)20(22)23/h3-4,6,8-12,17,19H,5,7,13H2,1-2H3,(H,22,23)