2-[1-[[6-(hydroxymethyl)-4-methyl-2-methylsulfanyl-5-oxidanyl-oxan-3-yl]amino]ethylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[1-[[6-(hydroxymethyl)-4-methyl-2-methylsulfanyl-5-oxidanyl-oxan-3-yl]amino]ethylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[1-[[5-hydroxy-6-(hydroxymethyl)-4-methyl-2-methylsulfanyl-tetrahydropyran-3-yl]amino]ethylidene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[1-[[5-hydroxy-6-(hydroxymethyl)-4-methyl-2-(methylthio)-3-oxanyl]amino]ethylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[1-[[5-hydroxy-6-(hydroxymethyl)-4-methyl-2-methylsulfanyloxan-3-yl]amino]ethylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[1-[[5-hydroxy-4-methyl-6-methylol-2-(methylthio)tetrahydropyran-3-yl]amino]ethylidene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C18H29NO5S MolecularWeight: 371.49156

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(OC(C1O)CO)SC)NC(=C2C(=O)CC(CC2=O)(C)C)C

Isomeric SMILES

CC1C(C(OC(C1O)CO)SC)NC(=C2C(=O)CC(CC2=O)(C)C)C

InChI

InChI=1S/C18H29NO5S/c1-9-15(17(25-5)24-13(8-20)16(9)23)19-10(2)14-11(21)6-18(3,4)7-12(14)22/h9,13,15-17,19-20,23H,6-8H2,1-5H3