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

Systemtic Name: N-[[(2S)-7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-benzamide Openeye Name: N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-benzamide CAS Name: N-[[(2S)-7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylbenzamide IUPAC Name: N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide Traditional Name: N-[[(2S)-7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-2-methyl-benzamide Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=NC(=NC=C4)SC)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC[C@@H]2CC3=C(O2)C(=CC(=C3)C4=NC(=NC=C4)SC)Cl

InChI

InChI=1S/C22H20ClN3O2S/c1-13-5-3-4-6-17(13)21(27)25-12-16-10-15-9-14(11-18(23)20(15)28-16)19-7-8-24-22(26-19)29-2/h3-9,11,16H,10,12H2,1-2H3,(H,25,27)/t16-/m0/s1