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

Systemtic Name: methyl (E)-6-[3-[1,1-bis(methylsulfanyl)-2-oxidanyl-butan-2-yl]-2-oxidanylidene-azepan-1-yl]-6-oxidanylidene-hex-3-enoate Openeye Name: methyl (E)-6-[3-[1-[bis(methylsulfanyl)methyl]-1-hydroxy-propyl]-2-oxo-azepan-1-yl]-6-oxo-hex-3-enoate CAS Name: (E)-6-[3-[2-hydroxy-1,1-bis(methylthio)butan-2-yl]-2-oxo-1-azepanyl]-6-oxo-3-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[3-[2-hydroxy-1,1-bis(methylsulfanyl)butan-2-yl]-2-oxoazepan-1-yl]-6-oxohex-3-enoate Traditional Name: (E)-6-[3-[1-[bis(methylthio)methyl]-1-hydroxy-propyl]-2-keto-azepan-1-yl]-6-keto-hex-3-enoic acid methyl ester Formula: C19H31NO5S2 MolecularWeight: 417.58314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO5S2/c1-5-19(24,18(26-3)27-4)14-10-8-9-13-20(17(14)23)15(21)11-6-7-12-16(22)25-2/h6-7,14,18,24H,5,8-13H2,1-4H3/b7-6+