[3-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 1-benzofuran-2-carboxylate

Systemtic Name: [3-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] 1-benzofuran-2-carboxylate Openeye Name: [3-[(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)amino]phenyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [3-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-benzylsulfanyl-6-methylpyrimidin-4-yl)amino]phenyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [3-[[2-(benzylthio)-6-methyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC(=CC=C3)OC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC(=CC=C3)OC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H21N3O3S/c1-18-14-25(30-27(28-18)34-17-19-8-3-2-4-9-19)29-21-11-7-12-22(16-21)32-26(31)24-15-20-10-5-6-13-23(20)33-24/h2-16H,17H2,1H3,(H,28,29,30)