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

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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/c1-4-27-20-9-15-7-14(3)28-21(15)10-16(20)8-17(12-24)22(26)25-19-11-18(23)6-5-13(19)2/h5-6,8-11,14H,4,7H2,1-3H3,(H,25,26)/b17-8+/t14-/m0/s1