methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-3-carbonylimino)-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H18N2O7S2 MolecularWeight: 462.49612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N2O7S2/c1-27-18(23)10-22-13-8-7-12(31(2,25)26)9-17(13)30-20(22)21-19(24)16-11-28-14-5-3-4-6-15(14)29-16/h3-9,16H,10-11H2,1-2H3