N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide CAS Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4,7-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-piperonylamide Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC4=C(C=C3)OCO4)N2CC#C

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC4=C(C=C3)OCO4)N2CC#C

InChI

InChI=1S/C20H16N2O5S/c1-4-9-22-17-14(24-2)7-8-15(25-3)18(17)28-20(22)21-19(23)12-5-6-13-16(10-12)27-11-26-13/h1,5-8,10H,9,11H2,2-3H3