(E)-N-[(7-chloranyl-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-pyridin-4-yl-prop-2-enamide

Systemtic Name: (E)-N-[(7-chloranyl-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-pyridin-4-yl-prop-2-enamide Openeye Name: (E)-N-[[7-chloro-5-(3-thienyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-(4-pyridyl)prop-2-enamide CAS Name: (E)-N-[[7-chloro-5-(3-thiophenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-pyridin-4-yl-2-propenamide IUPAC Name: (E)-N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-pyridin-4-ylprop-2-enamide Traditional Name: (E)-N-[[7-chloro-5-(3-thienyl)coumaran-2-yl]methyl]-3-(4-pyridyl)acrylamide Formula: C21H17ClN2O2S MolecularWeight: 396.88988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2Cl)C3=CSC=C3)CNC(=O)C=CC4=CC=NC=C4

Isomeric SMILES

C1C(OC2=C1C=C(C=C2Cl)C3=CSC=C3)CNC(=O)/C=C/C4=CC=NC=C4

InChI

InChI=1S/C21H17ClN2O2S/c22-19-11-16(15-5-8-27-13-15)9-17-10-18(26-21(17)19)12-24-20(25)2-1-14-3-6-23-7-4-14/h1-9,11,13,18H,10,12H2,(H,24,25)/b2-1+