ethyl 2-(1,3-benzodioxol-5-ylcarbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylcarbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxole-5-carbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1,3-benzodioxol-5-yl(oxo)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxole-5-carbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-piperonyloylimino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O5S/c1-3-9-23-15-7-5-14(20(25)26-4-2)11-18(15)29-21(23)22-19(24)13-6-8-16-17(10-13)28-12-27-16/h1,5-8,10-11H,4,9,12H2,2H3