(E)-N-(3-chloranyl-2-methyl-phenyl)-2-cyano-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enamide

Systemtic Name: (E)-N-(3-chloranyl-2-methyl-phenyl)-2-cyano-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enamide Openeye Name: (E)-N-(3-chloro-2-methyl-phenyl)-2-cyano-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]prop-2-enamide CAS Name: (E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-propenamide IUPAC Name: (E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enamide Traditional Name: (E)-N-(3-chloro-2-methyl-phenyl)-2-cyano-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]acrylamide Formula: C22H21ClN2O3 MolecularWeight: 396.86674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=C(C#N)C(=O)NC3=C(C(=CC=C3)Cl)C)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C(\C#N)/C(=O)NC3=C(C(=CC=C3)Cl)C)O[C@H](C2)C

InChI

InChI=1S/C22H21ClN2O3/c1-4-27-20-10-15-8-13(2)28-21(15)11-16(20)9-17(12-24)22(26)25-19-7-5-6-18(23)14(19)3/h5-7,9-11,13H,4,8H2,1-3H3,(H,25,26)/b17-9+/t13-/m0/s1