(2R)-5-chloranyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: (2R)-5-chloranyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide Openeye Name: (2R)-5-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,3-dihydrobenzofuran-2-carboxamide CAS Name: (2R)-5-chloro-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2,3-dihydrobenzofuran-2-carboxamide IUPAC Name: (2R)-5-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide Traditional Name: (2R)-5-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]coumaran-2-carboxamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CC4=C(O3)C=CC(=C4)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)[C@H]3CC4=C(O3)C=CC(=C4)Cl)C

InChI

InChI=1S/C21H18ClN3O2S/c1-12-9-13(2)24-21(23-12)28-17-6-4-16(5-7-17)25-20(26)19-11-14-10-15(22)3-8-18(14)27-19/h3-10,19H,11H2,1-2H3,(H,25,26)/t19-/m1/s1