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

Systemtic Name: (E)-N-[[7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-pent-2-enamide Openeye Name: (E)-N-[[7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-methyl-pent-2-enamide CAS Name: (E)-N-[[7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-4-methyl-2-pentenamide IUPAC Name: (E)-N-[[7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methylpent-2-enamide Traditional Name: (E)-N-[[7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-4-methyl-pent-2-enamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=NC(=NC=C3)SC)Cl

Isomeric SMILES

CC(C)/C=C/C(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=NC(=NC=C3)SC)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-12(2)4-5-18(25)23-11-15-9-14-8-13(10-16(21)19(14)26-15)17-6-7-22-20(24-17)27-3/h4-8,10,12,15H,9,11H2,1-3H3,(H,23,25)/b5-4+