(E)-2-(1,3-benzothiazol-2-yl)-3-[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-methoxy-2-(1-naphthylmethoxy)phenyl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-methoxy-2-(1-naphthalenylmethoxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-methoxy-2-(1-naphthylmethoxy)phenyl]acrylonitrile Formula: C28H20N2O2S MolecularWeight: 448.5356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC3=CC=CC=C32)C=C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC3=CC=CC=C32)/C=C(\C#N)/C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H20N2O2S/c1-31-25-14-7-10-20(16-22(17-29)28-30-24-13-4-5-15-26(24)33-28)27(25)32-18-21-11-6-9-19-8-2-3-12-23(19)21/h2-16H,18H2,1H3/b22-16+