6-(4-chlorophenyl)-5-cyano-2-[2-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-(4-chlorophenyl)-5-cyano-2-[2-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-(4-chlorophenyl)-5-cyano-2-[2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-(4-chlorophenyl)-5-cyano-2-[[2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-(4-chlorophenyl)-5-cyano-2-[2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 6-(4-chlorophenyl)-5-cyano-2-[[2-keto-2-[(2R)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]ethyl]thio]pyrimidin-4-olate Formula: C22H14ClN4O4S- MolecularWeight: 465.88896

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=C(C(=N3)[O-])C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[C@@H]1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=C(C(=N3)[O-])C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H15ClN4O4S/c1-11-20(29)25-16-8-13(4-7-18(16)31-11)17(28)10-32-22-26-19(15(9-24)21(30)27-22)12-2-5-14(23)6-3-12/h2-8,11H,10H2,1H3,(H,25,29)(H,26,27,30)/p-1/t11-/m1/s1