ethyl 2-[6-methylsulfonyl-2-(oxolan-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-methylsulfonyl-2-(oxolan-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-methylsulfonyl-2-(tetrahydrofuran-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[oxo(2-oxolanyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-methylsulfonyl-2-(oxolane-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-(tetrahydrofuran-2-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C17H20N2O6S2 MolecularWeight: 412.4805

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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)C3CCCO3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3CCCO3

InChI

InChI=1S/C17H20N2O6S2/c1-3-24-15(20)10-19-12-7-6-11(27(2,22)23)9-14(12)26-17(19)18-16(21)13-5-4-8-25-13/h6-7,9,13H,3-5,8,10H2,1-2H3