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

Systemtic Name: (2E)-2-(4-methyl-6-oxidanylidene-2-propylsulfanyl-pyrimidin-5-ylidene)propanoic acid Openeye Name: (2E)-2-(4-methyl-6-oxo-2-propylsulfanyl-pyrimidin-5-ylidene)propanoic acid CAS Name: (2E)-2-[4-methyl-6-oxo-2-(propylthio)-5-pyrimidinylidene]propanoic acid IUPAC Name: (2E)-2-(4-methyl-6-oxo-2-propylsulfanylpyrimidin-5-ylidene)propanoic acid Traditional Name: (2E)-2-[4-keto-6-methyl-2-(propylthio)pyrimidin-5-ylidene]propionic acid Formula: C11H14N2O3S MolecularWeight: 254.30546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C(=C(C)C(=O)O)C(=N1)C

Isomeric SMILES

CCCSC1=NC(=O)/C(=C(\C)/C(=O)O)/C(=N1)C

InChI

InChI=1S/C11H14N2O3S/c1-4-5-17-11-12-7(3)8(9(14)13-11)6(2)10(15)16/h4-5H2,1-3H3,(H,15,16)/b8-6+