ethyl 4-[[4-[(E)-2-cyano-3-phenyl-prop-2-enoyl]oxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[4-[(E)-2-cyano-3-phenyl-prop-2-enoyl]oxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(E)-2-cyano-3-phenyl-prop-2-enoyl]oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[4-[(E)-2-cyano-1-oxo-3-phenylprop-2-enoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-2-cyano-3-phenylprop-2-enoyl]oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[4-[(E)-2-cyano-3-phenyl-acryloyl]oxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)C(=CC3=CC=CC=C3)C#N)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)/C(=C/C3=CC=CC=C3)/C#N)SC

InChI

InChI=1S/C24H20N4O4S/c1-3-31-23(30)20-15-26-24(33-2)28-21(20)27-18-9-11-19(12-10-18)32-22(29)17(14-25)13-16-7-5-4-6-8-16/h4-13,15H,3H2,1-2H3,(H,26,27,28)/b17-13+