(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide Openeye Name: (E)-3-(2,3-dihydrobenzofuran-5-yl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]prop-2-enamide CAS Name: (E)-3-(2,3-dihydrobenzofuran-5-yl)-N-[4-(3-pyridinylmethylthio)phenyl]-2-propenamide IUPAC Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide Traditional Name: (E)-3-coumaran-5-yl-N-[4-(3-pyridylmethylthio)phenyl]acrylamide Formula: C23H20N2O2S MolecularWeight: 388.4821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C=CC(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)/C=C/C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C23H20N2O2S/c26-23(10-4-17-3-9-22-19(14-17)11-13-27-22)25-20-5-7-21(8-6-20)28-16-18-2-1-12-24-15-18/h1-10,12,14-15H,11,13,16H2,(H,25,26)/b10-4+