methyl (E)-6-[3-[1-acetyloxy-2,2-bis(methylsulfanyl)ethyl]-2-oxidanylidene-azepan-1-yl]-6-oxidanylidene-hex-3-enoate

Systemtic Name: methyl (E)-6-[3-[1-acetyloxy-2,2-bis(methylsulfanyl)ethyl]-2-oxidanylidene-azepan-1-yl]-6-oxidanylidene-hex-3-enoate Openeye Name: methyl (E)-6-[3-[1-acetoxy-2,2-bis(methylsulfanyl)ethyl]-2-oxo-azepan-1-yl]-6-oxo-hex-3-enoate CAS Name: (E)-6-[3-[1-acetyloxy-2,2-bis(methylthio)ethyl]-2-oxo-1-azepanyl]-6-oxo-3-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[3-[1-acetyloxy-2,2-bis(methylsulfanyl)ethyl]-2-oxoazepan-1-yl]-6-oxohex-3-enoate Traditional Name: (E)-6-[3-[1-acetoxy-2,2-bis(methylthio)ethyl]-2-keto-azepan-1-yl]-6-keto-hex-3-enoic acid methyl ester Formula: C19H29NO6S2 MolecularWeight: 431.56666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO6S2/c1-13(21)26-17(19(27-3)28-4)14-9-7-8-12-20(18(14)24)15(22)10-5-6-11-16(23)25-2/h5-6,14,17,19H,7-12H2,1-4H3/b6-5+