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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-2-propoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-2-propoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-2-propoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-2-propoxy-phenyl)acrylonitrile Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OCC)C=C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCOC1=C(C=CC=C1OCC)/C=C(\C#N)/C2=NC3=CC=CC=C3S2

InChI

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