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

Systemtic Name: [1-(1-but-3-enoyl-2-oxidanylidene-azepan-3-yl)-2,2-bis(methylsulfanyl)ethyl] ethanoate Openeye Name: [1-(1-but-3-enoyl-2-oxo-azepan-3-yl)-2,2-bis(methylsulfanyl)ethyl] acetate CAS Name: acetic acid [2,2-bis(methylthio)-1-[2-oxo-1-(1-oxobut-3-enyl)-3-azepanyl]ethyl] ester IUPAC Name: [1-(1-but-3-enoyl-2-oxoazepan-3-yl)-2,2-bis(methylsulfanyl)ethyl] acetate Traditional Name: acetic acid [1-(1-but-3-enoyl-2-keto-azepan-3-yl)-2,2-bis(methylthio)ethyl] ester Formula: C16H25NO4S2 MolecularWeight: 359.504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO4S2/c1-5-8-13(19)17-10-7-6-9-12(15(17)20)14(21-11(2)18)16(22-3)23-4/h5,12,14,16H,1,6-10H2,2-4H3