ethyl 2-(2-cyclohexylcarbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: ethyl 2-(2-cyclohexylcarbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-[2-(cyclohexanecarbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[cyclohexyl(oxo)methyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(cyclohexanecarbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(cyclohexanecarbonylimino)-6-mesyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H24N2O5S2 MolecularWeight: 424.53426

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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)C3CCCCC3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3CCCCC3

InChI

InChI=1S/C19H24N2O5S2/c1-3-26-17(22)12-21-15-10-9-14(28(2,24)25)11-16(15)27-19(21)20-18(23)13-7-5-4-6-8-13/h9-11,13H,3-8,12H2,1-2H3