3-[2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[2-(4-ethoxyphenoxy)ethylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[2-(4-ethoxyphenoxy)ethylthio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSC2=NC(=O)C(=C(N2)C)CCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSC2=NC(=O)C(=C(N2)C)CCC(=O)O

InChI

InChI=1S/C18H22N2O5S/c1-3-24-13-4-6-14(7-5-13)25-10-11-26-18-19-12(2)15(17(23)20-18)8-9-16(21)22/h4-7H,3,8-11H2,1-2H3,(H,21,22)(H,19,20,23)