ethyl 2-[6-bromanyl-2-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-bromanyl-2-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-[2-(2-morpholino-2-oxo-ethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[2-[2-(4-morpholinyl)-2-oxoethyl]sulfonyl-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[2-(2-keto-2-morpholino-ethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H22BrN3O7S2 MolecularWeight: 548.42788

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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)N3CCOCC3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCOCC3

InChI

InChI=1S/C19H22BrN3O7S2/c1-2-30-18(26)10-23-14-4-3-13(20)9-15(14)31-19(23)21-16(24)11-32(27,28)12-17(25)22-5-7-29-8-6-22/h3-4,9H,2,5-8,10-12H2,1H3