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

Systemtic Name: methyl 2-(6-bromanyl-2-cyclohexylcarbonylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O3S/c1-23-15(21)10-20-13-8-7-12(18)9-14(13)24-17(20)19-16(22)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3