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

Systemtic Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonylimino)-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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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)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S2/c1-26-20(25)14-3-5-15-18(12-14)30-21(23(15)7-10-29-2)22-19(24)13-4-6-16-17(11-13)28-9-8-27-16/h3-6,11-12H,7-10H2,1-2H3