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

Systemtic Name: ethyl 2-methylsulfanyl-4-[[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]oxyphenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(E)-3-(4-isopropylphenyl)prop-2-enoyl]oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[4-[(E)-3-p-cumenylacryloyl]oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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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=C(C=C3)C(C)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O4S/c1-5-32-25(31)22-16-27-26(34-4)29-24(22)28-20-11-13-21(14-12-20)33-23(30)15-8-18-6-9-19(10-7-18)17(2)3/h6-17H,5H2,1-4H3,(H,27,28,29)/b15-8+