(2E)-2-(4-methyl-6-oxidanylidene-2-prop-2-enylsulfanyl-pyrimidin-5-ylidene)propanoic acid

Systemtic Name: (2E)-2-(4-methyl-6-oxidanylidene-2-prop-2-enylsulfanyl-pyrimidin-5-ylidene)propanoic acid Openeye Name: (2E)-2-(2-allylsulfanyl-4-methyl-6-oxo-pyrimidin-5-ylidene)propanoic acid CAS Name: (2E)-2-[4-methyl-6-oxo-2-(prop-2-enylthio)-5-pyrimidinylidene]propanoic acid IUPAC Name: (2E)-2-(4-methyl-6-oxo-2-prop-2-enylsulfanylpyrimidin-5-ylidene)propanoic acid Traditional Name: (2E)-2-[2-(allylthio)-4-keto-6-methyl-pyrimidin-5-ylidene]propionic acid Formula: C11H12N2O3S MolecularWeight: 252.28958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=O)C1=C(C)C(=O)O)SCC=C

Isomeric SMILES

CC\1=NC(=NC(=O)/C1=C(\C)/C(=O)O)SCC=C

InChI

InChI=1S/C11H12N2O3S/c1-4-5-17-11-12-7(3)8(9(14)13-11)6(2)10(15)16/h4H,1,5H2,2-3H3,(H,15,16)/b8-6+