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

Systemtic Name: [1-[1-(2,2-dimethylpropanoyl)-2-oxidanylidene-azepan-3-yl]-2,2-bis(methylsulfanyl)ethyl] ethanoate Openeye Name: [1-[1-(2,2-dimethylpropanoyl)-2-oxo-azepan-3-yl]-2,2-bis(methylsulfanyl)ethyl] acetate CAS Name: acetic acid [1-[1-(2,2-dimethyl-1-oxopropyl)-2-oxo-3-azepanyl]-2,2-bis(methylthio)ethyl] ester IUPAC Name: [1-[1-(2,2-dimethylpropanoyl)-2-oxoazepan-3-yl]-2,2-bis(methylsulfanyl)ethyl] acetate Traditional Name: acetic acid [1-(2-keto-1-pivaloyl-azepan-3-yl)-2,2-bis(methylthio)ethyl] ester Formula: C17H29NO4S2 MolecularWeight: 375.54646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1CCCCN(C1=O)C(=O)C(C)(C)C)C(SC)SC

Isomeric SMILES

CC(=O)OC(C1CCCCN(C1=O)C(=O)C(C)(C)C)C(SC)SC

InChI

InChI=1S/C17H29NO4S2/c1-11(19)22-13(15(23-5)24-6)12-9-7-8-10-18(14(12)20)16(21)17(2,3)4/h12-13,15H,7-10H2,1-6H3