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

Systemtic Name: ethyl 4-[[3-(furan-2-ylcarbonyloxy)phenyl]amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-4-[3-(furan-2-carbonyloxy)anilino]pyrimidine-5-carboxylate CAS Name: 4-[3-[2-furanyl(oxo)methoxy]anilino]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-4-[3-(furan-2-carbonyloxy)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-4-[3-(2-furoyloxy)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC=CO3)SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC=CO3)SCC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O5S/c1-2-31-23(29)20-15-26-25(34-16-17-8-4-3-5-9-17)28-22(20)27-18-10-6-11-19(14-18)33-24(30)21-12-7-13-32-21/h3-15H,2,16H2,1H3,(H,26,27,28)