N-[[(2R)-5-chloranyl-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methylsulfanyl-benzamide

Systemtic Name: N-[[(2R)-5-chloranyl-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methylsulfanyl-benzamide Openeye Name: N-[[(2R)-5-chloro-7-pyrimidin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]-4-methylsulfanyl-benzamide CAS Name: N-[[(2R)-5-chloro-7-(2-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-(methylthio)benzamide IUPAC Name: N-[[(2R)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methylsulfanylbenzamide Traditional Name: N-[[(2R)-5-chloro-7-(2-pyrimidyl)coumaran-2-yl]methyl]-4-(methylthio)benzamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C21H18ClN3O2S/c1-28-17-5-3-13(4-6-17)21(26)25-12-16-10-14-9-15(22)11-18(19(14)27-16)20-23-7-2-8-24-20/h2-9,11,16H,10,12H2,1H3,(H,25,26)/t16-/m1/s1