(4E)-5-(hydroxymethyl)-6-methyl-4-[[(2-oxidanylidenethiolan-3-yl)amino]methylidene]pyridin-3-one

Systemtic Name: (4E)-5-(hydroxymethyl)-6-methyl-4-[[(2-oxidanylidenethiolan-3-yl)amino]methylidene]pyridin-3-one Openeye Name: (4E)-5-(hydroxymethyl)-6-methyl-4-[[(2-oxotetrahydrothiophen-3-yl)amino]methylene]pyridin-3-one CAS Name: (4E)-5-(hydroxymethyl)-6-methyl-4-[[(2-oxo-3-thiolanyl)amino]methylidene]-3-pyridinone IUPAC Name: (4E)-5-(hydroxymethyl)-6-methyl-4-[[(2-oxothiolan-3-yl)amino]methylidene]pyridin-3-one Traditional Name: (4E)-4-[[(2-ketotetrahydrothiophen-3-yl)amino]methylene]-6-methyl-5-methylol-pyridin-3-one Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CNC2CCSC2=O)C(=O)C=N1)CO

Isomeric SMILES

CC1=C(/C(=C\NC2CCSC2=O)/C(=O)C=N1)CO

InChI

InChI=1S/C12H14N2O3S/c1-7-9(6-15)8(11(16)5-13-7)4-14-10-2-3-18-12(10)17/h4-5,10,14-15H,2-3,6H2,1H3/b8-4+