ethyl 2-[6-bromanyl-2-[2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-bromanyl-2-[2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-[2-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[2-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]sulfonyl-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-[2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[2-[2-keto-2-(2-methylpiperidino)ethyl]sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H26BrN3O6S2 MolecularWeight: 560.48164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCC3C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCC3C

InChI

InChI=1S/C21H26BrN3O6S2/c1-3-31-20(28)11-25-16-8-7-15(22)10-17(16)32-21(25)23-18(26)12-33(29,30)13-19(27)24-9-5-4-6-14(24)2/h7-8,10,14H,3-6,9,11-13H2,1-2H3