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

Systemtic Name: methyl 2-[6-ethoxy-2-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H25N3O8S2 MolecularWeight: 499.5578

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O8S2/c1-3-31-14-4-5-15-16(10-14)32-20(23(15)11-19(26)29-2)21-17(24)12-33(27,28)13-18(25)22-6-8-30-9-7-22/h4-5,10H,3,6-9,11-13H2,1-2H3