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

Systemtic Name: ethyl 2-[6-bromanyl-2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-[2-[2-oxo-2-(1-piperidyl)ethyl]sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[1-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]sulfonylethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-[2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[2-(2-keto-2-piperidino-ethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H24BrN3O6S2 MolecularWeight: 546.45506

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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)N3CCCCC3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCC3

InChI

InChI=1S/C20H24BrN3O6S2/c1-2-30-19(27)11-24-15-7-6-14(21)10-16(15)31-20(24)22-17(25)12-32(28,29)13-18(26)23-8-4-3-5-9-23/h6-7,10H,2-5,8-9,11-13H2,1H3