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

Systemtic Name: ethyl 2-methylsulfanyl-4-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyanilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-[(E)-1-oxo-3-(4-phenylphenyl)prop-2-enoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[4-[(E)-3-(4-phenylphenyl)acryloyl]oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C29H25N3O4S MolecularWeight: 511.5915

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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)C4=CC=CC=C4)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)/C=C/C3=CC=C(C=C3)C4=CC=CC=C4)SC

InChI

InChI=1S/C29H25N3O4S/c1-3-35-28(34)25-19-30-29(37-2)32-27(25)31-23-14-16-24(17-15-23)36-26(33)18-11-20-9-12-22(13-10-20)21-7-5-4-6-8-21/h4-19H,3H2,1-2H3,(H,30,31,32)/b18-11+