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

Systemtic Name: methyl 2-(2-cyclohexylcarbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S2/c1-25-16(21)11-20-14-9-8-13(27(2,23)24)10-15(14)26-18(20)19-17(22)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3