ethyl 2-[3-oxidanylidene-1-[2-(phenylcarbonylsulfanyl)ethanoyl]piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[3-oxidanylidene-1-[2-(phenylcarbonylsulfanyl)ethanoyl]piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[1-(2-benzoylsulfanylacetyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(benzoylthio)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-benzoylsulfanylacetyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(benzoylthio)acetyl]-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=O)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC1C(=O)NCCN1C(=O)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O5S/c1-2-24-15(21)10-13-16(22)18-8-9-19(13)14(20)11-25-17(23)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,18,22)