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

Systemtic Name: N-[[(2S)-7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide Openeye Name: N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]pent-4-enamide CAS Name: N-[[(2S)-7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-4-pentenamide IUPAC Name: N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide Traditional Name: N-[[(2S)-7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]pent-4-enamide Formula: C19H20ClN3O2S MolecularWeight: 389.899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O2S/c1-3-4-5-17(24)22-11-14-9-13-8-12(10-15(20)18(13)25-14)16-6-7-21-19(23-16)26-2/h3,6-8,10,14H,1,4-5,9,11H2,2H3,(H,22,24)/t14-/m0/s1