N-[[(2S)-7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxane-4-carboxamide

Systemtic Name: N-[[(2S)-7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxane-4-carboxamide Openeye Name: N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]tetrahydropyran-4-carboxamide CAS Name: N-[[(2S)-7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-4-oxanecarboxamide IUPAC Name: N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxane-4-carboxamide Traditional Name: N-[[(2S)-7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]tetrahydropyran-4-carboxamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=CC3=C(C(=C2)Cl)OC(C3)CNC(=O)C4CCOCC4

Isomeric SMILES

CSC1=NC=CC(=N1)C2=CC3=C(C(=C2)Cl)O[C@@H](C3)CNC(=O)C4CCOCC4

InChI

InChI=1S/C20H22ClN3O3S/c1-28-20-22-5-2-17(24-20)13-8-14-9-15(27-18(14)16(21)10-13)11-23-19(25)12-3-6-26-7-4-12/h2,5,8,10,12,15H,3-4,6-7,9,11H2,1H3,(H,23,25)/t15-/m0/s1