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

Systemtic Name: 3-[2-[(4-ethoxyphenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[(4-ethoxyphenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[(4-ethoxyphenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[(4-ethoxyphenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[(4-ethoxybenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O

InChI

InChI=1S/C17H20N2O4S/c1-3-23-13-6-4-12(5-7-13)10-24-17-18-11(2)14(16(22)19-17)8-9-15(20)21/h4-7H,3,8-10H2,1-2H3,(H,20,21)(H,18,19,22)