[1-(1-ethanoyl-2-oxidanylidene-azepan-3-yl)-2,2-bis(methylsulfanyl)ethyl] ethanoate

Systemtic Name: [1-(1-ethanoyl-2-oxidanylidene-azepan-3-yl)-2,2-bis(methylsulfanyl)ethyl] ethanoate Openeye Name: [1-(1-acetyl-2-oxo-azepan-3-yl)-2,2-bis(methylsulfanyl)ethyl] acetate CAS Name: acetic acid [1-(1-acetyl-2-oxo-3-azepanyl)-2,2-bis(methylthio)ethyl] ester IUPAC Name: [1-(1-acetyl-2-oxoazepan-3-yl)-2,2-bis(methylsulfanyl)ethyl] acetate Traditional Name: acetic acid [1-(1-acetyl-2-keto-azepan-3-yl)-2,2-bis(methylthio)ethyl] ester Formula: C14H23NO4S2 MolecularWeight: 333.46672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCCC(C1=O)C(C(SC)SC)OC(=O)C

Isomeric SMILES

CC(=O)N1CCCCC(C1=O)C(C(SC)SC)OC(=O)C

InChI

InChI=1S/C14H23NO4S2/c1-9(16)15-8-6-5-7-11(13(15)18)12(19-10(2)17)14(20-3)21-4/h11-12,14H,5-8H2,1-4H3