5-(3,4-dimethoxyphenyl)-1-(3-ethanoylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(3,4-dimethoxyphenyl)-1-(3-ethanoylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylpropanoyl)-5-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxopropyl]-5-(3,4-dimethoxyphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanylpropanoyl)-5-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)propanoyl]-5-(3,4-dimethoxyphenyl)proline Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(CCC1C(=O)O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=O)SCCC(=O)N1C(CCC1C(=O)O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H23NO6S/c1-11(20)26-9-8-17(21)19-13(5-6-14(19)18(22)23)12-4-7-15(24-2)16(10-12)25-3/h4,7,10,13-14H,5-6,8-9H2,1-3H3,(H,22,23)