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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O2S/c1-3-4-11-25-19-13-15(9-10-18(19)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+