(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=C(C#N)C3=NC4=CC=CC=C4N3C)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C(\C#N)/C3=NC4=CC=CC=C4N3C)O[C@H](C2)C

InChI

InChI=1S/C22H21N3O2/c1-4-26-20-11-15-9-14(2)27-21(15)12-16(20)10-17(13-23)22-24-18-7-5-6-8-19(18)25(22)3/h5-8,10-12,14H,4,9H2,1-3H3/b17-10+/t14-/m0/s1