N-[[7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methyl-2-oxidanylidene-pentanamide

Systemtic Name: N-[[7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methyl-2-oxidanylidene-pentanamide Openeye Name: N-[[7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-methyl-2-oxo-pentanamide CAS Name: N-[[7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-3-methyl-2-oxopentanamide IUPAC Name: N-[[7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methyl-2-oxopentanamide Traditional Name: N-[[7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-2-keto-3-methyl-valeramide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S/c1-4-11(2)17(25)19(26)23-10-14-8-13-7-12(9-15(21)18(13)27-14)16-5-6-22-20(24-16)28-3/h5-7,9,11,14H,4,8,10H2,1-3H3,(H,23,26)