2-[(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methylthio]propanoic acid IUPAC Name: 2-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methylthio]propionic acid Formula: C11H16N2O5S MolecularWeight: 288.32014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC(C)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC(C)C(=O)O

InChI

InChI=1S/C11H16N2O5S/c1-3-18-10(16)7-4-12-11(17)13-8(7)5-19-6(2)9(14)15/h6H,3-5H2,1-2H3,(H,14,15)(H2,12,13,17)