(E)-2-(1,3-benzothiazol-2-yl)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-butoxy-3-ethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-butoxy-3-ethoxy-phenyl)acrylonitrile Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OCC

InChI

InChI=1S/C22H22N2O2S/c1-3-5-12-26-19-11-10-16(14-20(19)25-4-2)13-17(15-23)22-24-18-8-6-7-9-21(18)27-22/h6-11,13-14H,3-5,12H2,1-2H3/b17-13+