N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-piperonylamide Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCO4)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCO4)S2)CC#C

InChI

InChI=1S/C20H16N2O4S/c1-3-9-22-15-7-6-14(24-4-2)11-18(15)27-20(22)21-19(23)13-5-8-16-17(10-13)26-12-25-16/h1,5-8,10-11H,4,9,12H2,2H3