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

Systemtic Name: ethyl 2-(6-bromanyl-2-cyclohexylcarbonylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-[6-bromo-2-(cyclohexanecarbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[cyclohexyl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-(cyclohexanecarbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(cyclohexanecarbonylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H21BrN2O3S MolecularWeight: 425.33994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O3S/c1-2-24-16(22)11-21-14-9-8-13(19)10-15(14)25-18(21)20-17(23)12-6-4-3-5-7-12/h8-10,12H,2-7,11H2,1H3