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

Systemtic Name: (2S)-2-[2-[(4-ethoxyphenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: (2S)-2-[2-[(4-ethoxyphenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: (2S)-2-[2-[(4-ethoxyphenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: (2S)-2-[2-[(4-ethoxyphenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: (2S)-2-[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)C(C)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C)[C@H](C)C(=O)O

InChI

InChI=1S/C17H20N2O4S/c1-4-23-13-7-5-12(6-8-13)9-24-17-18-11(3)14(15(20)19-17)10(2)16(21)22/h5-8,10H,4,9H2,1-3H3,(H,21,22)(H,18,19,20)/t10-/m0/s1