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

Systemtic Name: ethyl 4-[[4-[(E)-3-(4-methoxycarbonylphenyl)prop-2-enoyl]oxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(E)-3-(4-methoxycarbonylphenyl)prop-2-enoyl]oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[4-[(E)-3-(4-methoxycarbonylphenyl)-1-oxoprop-2-enoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-3-(4-methoxycarbonylphenyl)prop-2-enoyl]oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[4-[(E)-3-(4-carbomethoxyphenyl)acryloyl]oxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C25H23N3O6S MolecularWeight: 493.53162

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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(=O)OC)SC

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O6S/c1-4-33-24(31)20-15-26-25(35-3)28-22(20)27-18-10-12-19(13-11-18)34-21(29)14-7-16-5-8-17(9-6-16)23(30)32-2/h5-15H,4H2,1-3H3,(H,26,27,28)/b14-7+