ethyl 2-[6-methylsulfonyl-2-(2-phenoxyethanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-methylsulfonyl-2-(2-phenoxyethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-methylsulfonyl-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-(1-oxo-2-phenoxyethyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-methylsulfonyl-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O6S2/c1-3-27-19(24)12-22-16-10-9-15(30(2,25)26)11-17(16)29-20(22)21-18(23)13-28-14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3