ethyl 4-[[3-(1-benzofuran-2-ylcarbonyloxy)phenyl]amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-(1-benzofuran-2-ylcarbonyloxy)phenyl]amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(benzofuran-2-carbonyloxy)anilino]-2-benzylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[2-benzofuranyl(oxo)methoxy]anilino]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1-benzofuran-2-carbonyloxy)anilino]-2-benzylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-(benzofuran-2-carbonyloxy)anilino]-2-(benzylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C29H23N3O5S MolecularWeight: 525.57502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC4=CC=CC=C4O3)SCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC4=CC=CC=C4O3)SCC5=CC=CC=C5

InChI

InChI=1S/C29H23N3O5S/c1-2-35-27(33)23-17-30-29(38-18-19-9-4-3-5-10-19)32-26(23)31-21-12-8-13-22(16-21)36-28(34)25-15-20-11-6-7-14-24(20)37-25/h3-17H,2,18H2,1H3,(H,30,31,32)