[(4Z)-6-methyl-4-[[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]methylidene]-5-oxidanylidene-pyridin-3-yl]methoxy-tris(oxidanyl)phosphanium

Systemtic Name: [(4Z)-6-methyl-4-[[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]methylidene]-5-oxidanylidene-pyridin-3-yl]methoxy-tris(oxidanyl)phosphanium Openeye Name: [(4Z)-4-[[(1-carboxy-3-methylsulfanyl-propyl)amino]methylene]-6-methyl-5-oxo-3-pyridyl]methoxy-trihydroxy-phosphonium CAS Name: trihydroxy-[[(4Z)-4-[[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]methylidene]-6-methyl-5-oxo-3-pyridinyl]methoxy]phosphonium IUPAC Name: trihydroxy-[[(4Z)-4-[[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]methylidene]-6-methyl-5-oxopyridin-3-yl]methoxy]phosphanium Traditional Name: [(4Z)-4-[[[1-carboxy-3-(methylthio)propyl]amino]methylene]-5-keto-6-methyl-3-pyridyl]methoxy-trihydroxy-phosphonium Formula: C13H20N2O7PS+ MolecularWeight: 379.345861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC(CCSC)C(=O)O)C1=O)CO[P+](O)(O)O

Isomeric SMILES

CC1=NC=C(/C(=C/NC(CCSC)C(=O)O)/C1=O)CO[P+](O)(O)O

InChI

InChI=1S/C13H19N2O7PS/c1-8-12(16)10(6-15-11(13(17)18)3-4-24-2)9(5-14-8)7-22-23(19,20)21/h5-6,11,19-21H,3-4,7H2,1-2H3,(H-,15,16,17,18)/p+1