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

Systemtic Name: ethyl 4-[2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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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=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4S/c1-2-30-21(29)15-8-10-16(11-9-15)24-18(27)13-31-22-25-19(14-6-4-3-5-7-14)17(12-23)20(28)26-22/h3-11H,2,13H2,1H3,(H,24,27)(H,25,26,28)