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

Systemtic Name: N-[[(2R)-7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-dimethoxy-benzamide Openeye Name: N-[[(2R)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-2,5-dimethoxy-benzamide CAS Name: N-[[(2R)-7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-2,5-dimethoxybenzamide IUPAC Name: N-[[(2R)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-dimethoxybenzamide Traditional Name: N-[[(2R)-7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-2,5-dimethoxy-benzamide Formula: C23H22ClN3O4S MolecularWeight: 471.95648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=NC(=NC=C4)SC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)C4=NC(=NC=C4)SC)Cl

InChI

InChI=1S/C23H22ClN3O4S/c1-29-15-4-5-20(30-2)17(11-15)22(28)26-12-16-9-14-8-13(10-18(24)21(14)31-16)19-6-7-25-23(27-19)32-3/h4-8,10-11,16H,9,12H2,1-3H3,(H,26,28)/t16-/m1/s1