methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonylimino)-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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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)OCCO4)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCCO4)S2)CC#C

InChI

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