4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]-mercaptomethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[(2S,6S)-2,6-dimethylmorpholino]-mercapto-methylene]cyclohexa-2,5-dien-1-one Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=C2C=CC(=O)C=C2)S

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)C(=C2C=CC(=O)C=C2)S

InChI

InChI=1S/C13H17NO2S/c1-9-7-14(8-10(2)16-9)13(17)11-3-5-12(15)6-4-11/h3-6,9-10,17H,7-8H2,1-2H3/t9-,10-/m0/s1