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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]acrylonitrile Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=C(C#N)C3=NC4=CC=CC=C4S3)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C(\C#N)/C3=NC4=CC=CC=C4S3)O[C@H](C2)C

InChI

InChI=1S/C21H18N2O2S/c1-3-24-18-10-14-8-13(2)25-19(14)11-15(18)9-16(12-22)21-23-17-6-4-5-7-20(17)26-21/h4-7,9-11,13H,3,8H2,1-2H3/b16-9+/t13-/m0/s1