(6Z)-2,4-ditert-butyl-6-[[[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-2,4-ditert-butyl-6-[[[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-2,4-ditert-butyl-6-[[[(1S)-1-(hydroxymethyl)-3-methylsulfanyl-propyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-2,4-ditert-butyl-6-[[[(2S)-1-hydroxy-4-(methylthio)butan-2-yl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-2,4-ditert-butyl-6-[[[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-2,4-ditert-butyl-6-[[[(1S)-1-methylol-3-(methylthio)propyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C20H33NO2S MolecularWeight: 351.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNC(CCSC)CO)C(=O)C(=C1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C/C(=C/N[C@@H](CCSC)CO)/C(=O)C(=C1)C(C)(C)C

InChI

InChI=1S/C20H33NO2S/c1-19(2,3)15-10-14(12-21-16(13-22)8-9-24-7)18(23)17(11-15)20(4,5)6/h10-12,16,21-22H,8-9,13H2,1-7H3/b14-12-/t16-/m0/s1