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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[(2S)-2-methylcoumaran-5-yl]acrylonitrile Formula: C19H14N2OS MolecularWeight: 318.39226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H]1CC2=C(O1)C=CC(=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H14N2OS/c1-12-8-14-9-13(6-7-17(14)22-12)10-15(11-20)19-21-16-4-2-3-5-18(16)23-19/h2-7,9-10,12H,8H2,1H3/b15-10+/t12-/m0/s1