methyl 5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]-2-oxidanyl-benzoate Openeye Name: methyl 5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxy-benzoate CAS Name: 5-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-hydroxybenzoate Traditional Name: 5-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]-2-hydroxy-benzoic acid methyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=CC(=C(C=C2)O)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=CC(=C(C=C2)O)C(=O)OC)C

InChI

InChI=1S/C16H16N2O4S/c1-9-6-10(2)18-16(17-9)23-8-14(20)11-4-5-13(19)12(7-11)15(21)22-3/h4-7,19H,8H2,1-3H3