1-[(5-chloranyl-2-methoxy-phenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-[4-(methylthio)phenyl]methyl]proline Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC=C(C=C2)SC)N3CCCC3C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC=C(C=C2)SC)N3CCCC3C(=O)O

InChI

InChI=1S/C20H22ClNO3S/c1-25-18-10-7-14(21)12-16(18)19(13-5-8-15(26-2)9-6-13)22-11-3-4-17(22)20(23)24/h5-10,12,17,19H,3-4,11H2,1-2H3,(H,23,24)