ethyl 2-[5,5-dimethyl-3-oxidanylidene-1-[3-(phenylcarbonylsulfanyl)propanoyl]piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[5,5-dimethyl-3-oxidanylidene-1-[3-(phenylcarbonylsulfanyl)propanoyl]piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[1-(3-benzoylsulfanylpropanoyl)-5,5-dimethyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[3-(benzoylthio)-1-oxopropyl]-5,5-dimethyl-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-benzoylsulfanylpropanoyl)-5,5-dimethyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[3-(benzoylthio)propanoyl]-3-keto-5,5-dimethyl-piperazin-2-yl]acetic acid ethyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NC(CN1C(=O)CCSC(=O)C2=CC=CC=C2)(C)C

Isomeric SMILES

CCOC(=O)CC1C(=O)NC(CN1C(=O)CCSC(=O)C2=CC=CC=C2)(C)C

InChI

InChI=1S/C20H26N2O5S/c1-4-27-17(24)12-15-18(25)21-20(2,3)13-22(15)16(23)10-11-28-19(26)14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3,(H,21,25)