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

Systemtic Name: methyl 2-[6-methylsulfonyl-2-(oxolan-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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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)C3CCCO3

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6S2/c1-23-14(19)9-18-11-6-5-10(26(2,21)22)8-13(11)25-16(18)17-15(20)12-4-3-7-24-12/h5-6,8,12H,3-4,7,9H2,1-2H3