N-[[(2S)-7-chloranyl-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[(2S)-7-chloranyl-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)coumaran-2-yl]methyl]-2-(methylthio)nicotinamide Formula: C24H23ClN2O4S MolecularWeight: 470.96842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC3=C(C(=C2)Cl)OC(C3)CNC(=O)C4=C(N=CC=C4)SC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC3=C(C(=C2)Cl)O[C@@H](C3)CNC(=O)C4=C(N=CC=C4)SC

InChI

InChI=1S/C24H23ClN2O4S/c1-29-16-6-7-21(30-2)19(12-16)14-9-15-10-17(31-22(15)20(25)11-14)13-27-23(28)18-5-4-8-26-24(18)32-3/h4-9,11-12,17H,10,13H2,1-3H3,(H,27,28)/t17-/m0/s1