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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H14N2O5S MolecularWeight: 394.40056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N2O5S/c1-3-8-22-14-6-4-13(19(24)25-2)10-17(14)28-20(22)21-18(23)12-5-7-15-16(9-12)27-11-26-15/h1,4-7,9-10H,8,11H2,2H3