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

Systemtic Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2,3-dihydro-1,4-benzodioxin-6-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-6-carbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-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)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

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