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

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]oxyphenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-[(E)-3-(4-benzyloxyphenyl)prop-2-enoyl]oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[3-[(E)-1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[3-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]oxyanilino]pyrimidine-5-carboxylate Traditional Name: 4-[3-[(E)-3-(4-benzoxyphenyl)acryloyl]oxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C30H27N3O5S MolecularWeight: 541.61748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)/C=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)SC

InChI

InChI=1S/C30H27N3O5S/c1-3-36-29(35)26-19-31-30(39-2)33-28(26)32-23-10-7-11-25(18-23)38-27(34)17-14-21-12-15-24(16-13-21)37-20-22-8-5-4-6-9-22/h4-19H,3,20H2,1-2H3,(H,31,32,33)/b17-14+