[2,2-bis(methylsulfanyl)-1-(2-oxidanylideneazepan-3-yl)ethyl] ethanoate

Systemtic Name: [2,2-bis(methylsulfanyl)-1-(2-oxidanylideneazepan-3-yl)ethyl] ethanoate Openeye Name: [2,2-bis(methylsulfanyl)-1-(2-oxoazepan-3-yl)ethyl] acetate CAS Name: acetic acid [2,2-bis(methylthio)-1-(2-oxo-3-azepanyl)ethyl] ester IUPAC Name: [2,2-bis(methylsulfanyl)-1-(2-oxoazepan-3-yl)ethyl] acetate Traditional Name: acetic acid [1-(2-ketoazepan-3-yl)-2,2-bis(methylthio)ethyl] ester Formula: C12H21NO3S2 MolecularWeight: 291.43004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1CCCCNC1=O)C(SC)SC

Isomeric SMILES

CC(=O)OC(C1CCCCNC1=O)C(SC)SC

InChI

InChI=1S/C12H21NO3S2/c1-8(14)16-10(12(17-2)18-3)9-6-4-5-7-13-11(9)15/h9-10,12H,4-7H2,1-3H3,(H,13,15)