2-[(6-methyl-4-oxidanylidene-5-phenoxy-1H-pyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-5-phenoxy-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[(6-methyl-4-oxo-5-phenoxy-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 2-[(6-methyl-4-oxo-5-phenoxy-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 2-[(6-methyl-4-oxo-5-phenoxy-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(4-keto-6-methyl-5-phenoxy-1H-pyrimidin-2-yl)thio]propionic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)O)OC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C14H14N2O4S/c1-8-11(20-10-6-4-3-5-7-10)12(17)16-14(15-8)21-9(2)13(18)19/h3-7,9H,1-2H3,(H,18,19)(H,15,16,17)