[2,2-bis(methylsulfanyl)-1-(2-oxidanylidene-1-pent-4-ynoyl-piperidin-3-yl)ethyl] ethanoate

Systemtic Name: [2,2-bis(methylsulfanyl)-1-(2-oxidanylidene-1-pent-4-ynoyl-piperidin-3-yl)ethyl] ethanoate Openeye Name: [2,2-bis(methylsulfanyl)-1-(2-oxo-1-pent-4-ynoyl-3-piperidyl)ethyl] acetate CAS Name: acetic acid [2,2-bis(methylthio)-1-[2-oxo-1-(1-oxopent-4-ynyl)-3-piperidinyl]ethyl] ester IUPAC Name: [2,2-bis(methylsulfanyl)-1-(2-oxo-1-pent-4-ynoylpiperidin-3-yl)ethyl] acetate Traditional Name: acetic acid [1-(2-keto-1-pent-4-ynoyl-3-piperidyl)-2,2-bis(methylthio)ethyl] ester Formula: C16H23NO4S2 MolecularWeight: 357.48812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1CCCN(C1=O)C(=O)CCC#C)C(SC)SC

Isomeric SMILES

CC(=O)OC(C1CCCN(C1=O)C(=O)CCC#C)C(SC)SC

InChI

InChI=1S/C16H23NO4S2/c1-5-6-9-13(19)17-10-7-8-12(15(17)20)14(21-11(2)18)16(22-3)23-4/h1,12,14,16H,6-10H2,2-4H3