methyl 2-(6-benzamido-5-ethanoyl-2-phenyl-pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: methyl 2-(6-benzamido-5-ethanoyl-2-phenyl-pyrimidin-4-yl)sulfanylethanoate Openeye Name: methyl 2-(5-acetyl-6-benzamido-2-phenyl-pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(5-acetyl-6-benzamido-2-phenyl-4-pyrimidinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-acetyl-6-benzamido-2-phenylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(5-acetyl-6-benzamido-2-phenyl-pyrimidin-4-yl)thio]acetic acid methyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(N=C1SCC(=O)OC)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(N=C(N=C1SCC(=O)OC)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4S/c1-14(26)18-20(24-21(28)16-11-7-4-8-12-16)23-19(15-9-5-3-6-10-15)25-22(18)30-13-17(27)29-2/h3-12H,13H2,1-2H3,(H,23,24,25,28)