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

Systemtic Name: (6Z)-6-[[[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[[[(1S)-1-(hydroxymethyl)-3-methylsulfanyl-propyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[[[(2S)-1-hydroxy-4-(methylthio)butan-2-yl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[[[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[[[(1S)-1-methylol-3-(methylthio)propyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CO)NC=C1C=CC=CC1=O

Isomeric SMILES

CSCC[C@@H](CO)N/C=C\1/C=CC=CC1=O

InChI

InChI=1S/C12H17NO2S/c1-16-7-6-11(9-14)13-8-10-4-2-3-5-12(10)15/h2-5,8,11,13-14H,6-7,9H2,1H3/b10-8-/t11-/m0/s1