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

Systemtic Name: (2E)-2-(4-methyl-6-oxidanylidene-2-pentylsulfanyl-pyrimidin-5-ylidene)propanoic acid Openeye Name: (2E)-2-(4-methyl-6-oxo-2-pentylsulfanyl-pyrimidin-5-ylidene)propanoic acid CAS Name: (2E)-2-[4-methyl-6-oxo-2-(pentylthio)-5-pyrimidinylidene]propanoic acid IUPAC Name: (2E)-2-(4-methyl-6-oxo-2-pentylsulfanylpyrimidin-5-ylidene)propanoic acid Traditional Name: (2E)-2-[2-(amylthio)-4-keto-6-methyl-pyrimidin-5-ylidene]propionic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=C(C)C(=O)O)C(=N1)C

Isomeric SMILES

CCCCCSC1=NC(=O)/C(=C(\C)/C(=O)O)/C(=N1)C

InChI

InChI=1S/C13H18N2O3S/c1-4-5-6-7-19-13-14-9(3)10(11(16)15-13)8(2)12(17)18/h4-7H2,1-3H3,(H,17,18)/b10-8+