2-[5-methyl-4-[[3-(3-nitrophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-2-oxidanylidene-pyrimidin-1-yl]propanoic acid

Systemtic Name: 2-[5-methyl-4-[[3-(3-nitrophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-2-oxidanylidene-pyrimidin-1-yl]propanoic acid Openeye Name: 2-[5-methyl-4-[[3-(3-nitrophenyl)isoxazol-5-yl]methylsulfanyl]-2-oxo-pyrimidin-1-yl]propanoic acid CAS Name: 2-[5-methyl-4-[[3-(3-nitrophenyl)-5-isoxazolyl]methylthio]-2-oxo-1-pyrimidinyl]propanoic acid IUPAC Name: 2-[5-methyl-4-[[3-(3-nitrophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-2-oxopyrimidin-1-yl]propanoic acid Traditional Name: 2-[2-keto-5-methyl-4-[[3-(3-nitrophenyl)isoxazol-5-yl]methylthio]pyrimidin-1-yl]propionic acid Formula: C18H16N4O6S MolecularWeight: 416.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1SCC2=CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])C(C)C(=O)O

Isomeric SMILES

CC1=CN(C(=O)N=C1SCC2=CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])C(C)C(=O)O

InChI

InChI=1S/C18H16N4O6S/c1-10-8-21(11(2)17(23)24)18(25)19-16(10)29-9-14-7-15(20-28-14)12-4-3-5-13(6-12)22(26)27/h3-8,11H,9H2,1-2H3,(H,23,24)