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

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 1-benzofuran-2-carboxylate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H17N3O3S/c1-13-10-19(24-21(22-13)28-2)23-15-7-5-8-16(12-15)26-20(25)18-11-14-6-3-4-9-17(14)27-18/h3-12H,1-2H3,(H,22,23,24)