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

Systemtic Name: N-[[(2S)-7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(2-thienyl)acetamide CAS Name: N-[[(2S)-7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-thiophen-2-ylacetamide Traditional Name: N-[[(2S)-7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-2-(2-thienyl)acetamide Formula: C20H18ClN3O2S2 MolecularWeight: 431.95882

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=CC3=C(C(=C2)Cl)OC(C3)CNC(=O)CC4=CC=CS4

Isomeric SMILES

CSC1=NC=CC(=N1)C2=CC3=C(C(=C2)Cl)O[C@@H](C3)CNC(=O)CC4=CC=CS4

InChI

InChI=1S/C20H18ClN3O2S2/c1-27-20-22-5-4-17(24-20)12-7-13-8-14(26-19(13)16(21)9-12)11-23-18(25)10-15-3-2-6-28-15/h2-7,9,14H,8,10-11H2,1H3,(H,23,25)/t14-/m0/s1