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

Systemtic Name: ethyl 2-[6-ethoxy-2-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-[2-(2-morpholino-2-oxo-ethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-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-ethoxy-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-[2-(2-keto-2-morpholino-ethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H27N3O8S2 MolecularWeight: 513.58438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCOCC3)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCOCC3)S2)CC(=O)OCC

InChI

InChI=1S/C21H27N3O8S2/c1-3-31-15-5-6-16-17(11-15)33-21(24(16)12-20(27)32-4-2)22-18(25)13-34(28,29)14-19(26)23-7-9-30-10-8-23/h5-6,11H,3-4,7-10,12-14H2,1-2H3