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

Systemtic Name: N-[[(2S)-7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-furan-3-carboxamide Openeye Name: N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-furan-3-carboxamide CAS Name: N-[[(2S)-7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-3-furancarboxamide IUPAC Name: N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylfuran-3-carboxamide Traditional Name: N-[[(2S)-7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-2-methyl-3-furamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=NC(=NC=C4)SC)Cl

Isomeric SMILES

CC1=C(C=CO1)C(=O)NC[C@@H]2CC3=C(O2)C(=CC(=C3)C4=NC(=NC=C4)SC)Cl

InChI

InChI=1S/C20H18ClN3O3S/c1-11-15(4-6-26-11)19(25)23-10-14-8-13-7-12(9-16(21)18(13)27-14)17-3-5-22-20(24-17)28-2/h3-7,9,14H,8,10H2,1-2H3,(H,23,25)/t14-/m0/s1