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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-4-propargyloxy-phenyl)acrylonitrile Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OCC#C

InChI

InChI=1S/C21H16N2O2S/c1-3-11-25-18-10-9-15(13-19(18)24-4-2)12-16(14-22)21-23-17-7-5-6-8-20(17)26-21/h1,5-10,12-13H,4,11H2,2H3/b16-12+