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

Systemtic Name: N-[(5-chloranyl-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylsulfanyl-benzamide Openeye Name: N-[[5-chloro-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-methylsulfanyl-benzamide CAS Name: N-[(5-chloro-7-pyridin-4-yl-2,3-dihydrobenzofuran-2-yl)methyl]-4-(methylthio)benzamide IUPAC Name: N-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylsulfanylbenzamide Traditional Name: N-[[5-chloro-7-(4-pyridyl)coumaran-2-yl]methyl]-4-(methylthio)benzamide Formula: C22H19ClN2O2S MolecularWeight: 410.91646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C22H19ClN2O2S/c1-28-19-4-2-15(3-5-19)22(26)25-13-18-11-16-10-17(23)12-20(21(16)27-18)14-6-8-24-9-7-14/h2-10,12,18H,11,13H2,1H3,(H,25,26)