6-[2-(2,4-dichlorophenyl)ethyl]-1-(3-ethanoylsulfanylpropanoyl)piperidine-2-carboxylic acid

Systemtic Name: 6-[2-(2,4-dichlorophenyl)ethyl]-1-(3-ethanoylsulfanylpropanoyl)piperidine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylpropanoyl)-6-[2-(2,4-dichlorophenyl)ethyl]piperidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxopropyl]-6-[2-(2,4-dichlorophenyl)ethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanylpropanoyl)-6-[2-(2,4-dichlorophenyl)ethyl]piperidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)propanoyl]-6-[2-(2,4-dichlorophenyl)ethyl]pipecolinic acid Formula: C19H23Cl2NO4S MolecularWeight: 432.36122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(CCCC1C(=O)O)CCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(=O)SCCC(=O)N1C(CCCC1C(=O)O)CCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H23Cl2NO4S/c1-12(23)27-10-9-18(24)22-15(3-2-4-17(22)19(25)26)8-6-13-5-7-14(20)11-16(13)21/h5,7,11,15,17H,2-4,6,8-10H2,1H3,(H,25,26)