(2E)-2-[2-(cyclopentylmethylsulfanyl)-4-methyl-6-oxidanylidene-pyrimidin-5-ylidene]propanoic acid

Systemtic Name: (2E)-2-[2-(cyclopentylmethylsulfanyl)-4-methyl-6-oxidanylidene-pyrimidin-5-ylidene]propanoic acid Openeye Name: (2E)-2-[2-(cyclopentylmethylsulfanyl)-4-methyl-6-oxo-pyrimidin-5-ylidene]propanoic acid CAS Name: (2E)-2-[2-(cyclopentylmethylthio)-4-methyl-6-oxo-5-pyrimidinylidene]propanoic acid IUPAC Name: (2E)-2-[2-(cyclopentylmethylsulfanyl)-4-methyl-6-oxopyrimidin-5-ylidene]propanoic acid Traditional Name: (2E)-2-[2-(cyclopentylmethylthio)-4-keto-6-methyl-pyrimidin-5-ylidene]propionic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=O)C1=C(C)C(=O)O)SCC2CCCC2

Isomeric SMILES

CC\1=NC(=NC(=O)/C1=C(\C)/C(=O)O)SCC2CCCC2

InChI

InChI=1S/C14H18N2O3S/c1-8(13(18)19)11-9(2)15-14(16-12(11)17)20-7-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,18,19)/b11-8+