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

Systemtic Name: 2-[[5-[(2-chloranylphenoxy)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-[(2-chlorophenoxy)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 2-[[5-[(2-chlorophenoxy)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 2-[[5-[(2-chlorophenoxy)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]propionic acid Formula: C15H15ClN2O4S MolecularWeight: 354.8086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)O)COC2=CC=CC=C2Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C(=O)O)COC2=CC=CC=C2Cl

InChI

InChI=1S/C15H15ClN2O4S/c1-8-10(7-22-12-6-4-3-5-11(12)16)13(19)18-15(17-8)23-9(2)14(20)21/h3-6,9H,7H2,1-2H3,(H,20,21)(H,17,18,19)