[(3E)-3-[3,6-bis(oxidanylidene)piperazin-2-ylidene]-4-methylsulfanyl-butyl] ethanoate

Systemtic Name: [(3E)-3-[3,6-bis(oxidanylidene)piperazin-2-ylidene]-4-methylsulfanyl-butyl] ethanoate Openeye Name: [(3E)-3-(3,6-dioxopiperazin-2-ylidene)-4-methylsulfanyl-butyl] acetate CAS Name: acetic acid [(3E)-3-(3,6-dioxo-2-piperazinylidene)-4-(methylthio)butyl] ester IUPAC Name: [(3E)-3-(3,6-dioxopiperazin-2-ylidene)-4-methylsulfanylbutyl] acetate Traditional Name: acetic acid [(3E)-3-(3,6-diketopiperazin-2-ylidene)-4-(methylthio)butyl] ester Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(=C1C(=O)NCC(=O)N1)CSC

Isomeric SMILES

CC(=O)OCC/C(=C\1/C(=O)NCC(=O)N1)/CSC

InChI

InChI=1S/C11H16N2O4S/c1-7(14)17-4-3-8(6-18-2)10-11(16)12-5-9(15)13-10/h3-6H2,1-2H3,(H,12,16)(H,13,15)/b10-8+