ethyl 2-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,3-dihydro-p-dioxin-5-carbonylimino)-6-mesyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C17H18N2O7S2 MolecularWeight: 426.46402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=COCCO3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=COCCO3

InChI

InChI=1S/C17H18N2O7S2/c1-3-25-15(20)9-19-12-5-4-11(28(2,22)23)8-14(12)27-17(19)18-16(21)13-10-24-6-7-26-13/h4-5,8,10H,3,6-7,9H2,1-2H3