2-(5-ethoxycarbonyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(5-ethoxycarbonyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethanoic acid Openeye Name: 2-(5-ethoxycarbonyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylacetic acid CAS Name: 2-[(5-ethoxycarbonyl-6-methyl-2-phenyl-4-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(5-ethoxycarbonyl-6-methyl-2-phenylpyrimidin-4-yl)sulfanylacetic acid Traditional Name: 2-[(5-carbethoxy-6-methyl-2-phenyl-pyrimidin-4-yl)thio]acetic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC(=O)O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC(=O)O)C2=CC=CC=C2)C

InChI

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