ethyl (1S,6S)-3-butanoyl-6-[(2R)-2-ethylsulfanylpropyl]-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: ethyl (1S,6S)-3-butanoyl-6-[(2R)-2-ethylsulfanylpropyl]-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-3-butanoyl-6-[(2R)-2-ethylsulfanylpropyl]-2-hydroxy-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: (1S,6S)-6-[(2R)-2-(ethylthio)propyl]-2-hydroxy-4-oxo-3-(1-oxobutyl)-1-cyclohex-2-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-3-butanoyl-6-[(2R)-2-ethylsulfanylpropyl]-2-hydroxy-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: (1S,6S)-3-butyryl-6-[(2R)-2-(ethylthio)propyl]-2-hydroxy-4-keto-cyclohex-2-ene-1-carboxylic acid ethyl ester Formula: C18H28O5S MolecularWeight: 356.47692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(C(CC1=O)CC(C)SCC)C(=O)OCC)O

Isomeric SMILES

CCCC(=O)C1=C([C@H]([C@@H](CC1=O)C[C@@H](C)SCC)C(=O)OCC)O

InChI

InChI=1S/C18H28O5S/c1-5-8-13(19)16-14(20)10-12(9-11(4)24-7-3)15(17(16)21)18(22)23-6-2/h11-12,15,21H,5-10H2,1-4H3/t11-,12-,15+/m1/s1