3-[2-[5-cyano-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidin-4-yl]ethoxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-[5-cyano-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidin-4-yl]ethoxy]-3-oxidanylidene-propanoic acid Openeye Name: 3-[2-[5-cyano-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidin-4-yl]ethoxy]-3-oxo-propanoic acid CAS Name: 3-[2-[5-cyano-2-(methylthio)-6-(3-nitrophenyl)-4-pyrimidinyl]ethoxy]-3-oxopropanoic acid IUPAC Name: 3-[2-[5-cyano-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidin-4-yl]ethoxy]-3-oxopropanoic acid Traditional Name: 3-[2-[5-cyano-2-(methylthio)-6-(3-nitrophenyl)pyrimidin-4-yl]ethoxy]-3-keto-propionic acid Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)CCOC(=O)CC(=O)O)C#N)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC(=C(C(=N1)CCOC(=O)CC(=O)O)C#N)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O6S/c1-28-17-19-13(5-6-27-15(24)8-14(22)23)12(9-18)16(20-17)10-3-2-4-11(7-10)21(25)26/h2-4,7H,5-6,8H2,1H3,(H,22,23)