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

Systemtic Name: N-[[(2S)-7-chloranyl-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-ethanamide Openeye Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylsulfanyl-acetamide CAS Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(methylthio)acetamide IUPAC Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanylacetamide Traditional Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)coumaran-2-yl]methyl]-2-(methylthio)acetamide Formula: C20H22ClNO4S MolecularWeight: 407.91098

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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)CSC

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO4S/c1-24-14-4-5-18(25-2)16(9-14)12-6-13-7-15(10-22-19(23)11-27-3)26-20(13)17(21)8-12/h4-6,8-9,15H,7,10-11H2,1-3H3,(H,22,23)/t15-/m0/s1