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

Systemtic Name: [2,2-bis(methylsulfanyl)-1-(2-oxidanylidene-1-pent-4-enoyl-azepan-3-yl)ethyl] ethanoate Openeye Name: [2,2-bis(methylsulfanyl)-1-(2-oxo-1-pent-4-enoyl-azepan-3-yl)ethyl] acetate CAS Name: acetic acid [2,2-bis(methylthio)-1-[2-oxo-1-(1-oxopent-4-enyl)-3-azepanyl]ethyl] ester IUPAC Name: [2,2-bis(methylsulfanyl)-1-(2-oxo-1-pent-4-enoylazepan-3-yl)ethyl] acetate Traditional Name: acetic acid [1-(2-keto-1-pent-4-enoyl-azepan-3-yl)-2,2-bis(methylthio)ethyl] ester Formula: C17H27NO4S2 MolecularWeight: 373.53058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4S2/c1-5-6-10-14(20)18-11-8-7-9-13(16(18)21)15(22-12(2)19)17(23-3)24-4/h5,13,15,17H,1,6-11H2,2-4H3