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

Systemtic Name: N-[[(2S)-7-chloranyl-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanyl-propanamide Openeye Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-methylsulfanyl-propanamide CAS Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-(methylthio)propanamide IUPAC Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanylpropanamide Traditional Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)coumaran-2-yl]methyl]-3-(methylthio)propionamide Formula: C21H24ClNO4S MolecularWeight: 421.93756

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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)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO4S/c1-25-15-4-5-19(26-2)17(11-15)13-8-14-9-16(27-21(14)18(22)10-13)12-23-20(24)6-7-28-3/h4-5,8,10-11,16H,6-7,9,12H2,1-3H3,(H,23,24)/t16-/m0/s1