ethyl 4-[2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[5-cyano-4-oxo-6-(p-tolyl)-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-cyano-4-keto-6-(p-tolyl)-1H-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C23H20N4O4S/c1-3-31-22(30)16-8-10-17(11-9-16)25-19(28)13-32-23-26-20(18(12-24)21(29)27-23)15-6-4-14(2)5-7-15/h4-11H,3,13H2,1-2H3,(H,25,28)(H,26,27,29)