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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-butoxy-3-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-butoxy-3-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-butoxy-3-methoxy-phenyl)acrylonitrile Formula: C21H20N2O2S MolecularWeight: 364.4607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O2S/c1-3-4-11-25-18-10-9-15(13-19(18)24-2)12-16(14-22)21-23-17-7-5-6-8-20(17)26-21/h5-10,12-13H,3-4,11H2,1-2H3/b16-12+