[4-[[6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 1-benzofuran-2-carboxylate

Systemtic Name: [4-[[6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 1-benzofuran-2-carboxylate Openeye Name: [4-[(2-benzylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [4-[[6-phenyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-benzylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [4-[[2-(benzylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C32H23N3O3S MolecularWeight: 529.60832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC(=N2)NC3=CC=C(C=C3)OC(=O)C4=CC5=CC=CC=C5O4)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=N2)NC3=CC=C(C=C3)OC(=O)C4=CC5=CC=CC=C5O4)C6=CC=CC=C6

InChI

InChI=1S/C32H23N3O3S/c36-31(29-19-24-13-7-8-14-28(24)38-29)37-26-17-15-25(16-18-26)33-30-20-27(23-11-5-2-6-12-23)34-32(35-30)39-21-22-9-3-1-4-10-22/h1-20H,21H2,(H,33,34,35)