methyl 2-[6-methylsulfonyl-2-(2-phenylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-methylsulfonyl-2-(2-phenylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methylsulfonyl-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-(1-oxo-2-phenylethyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methylsulfonyl-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O5S2/c1-26-18(23)12-21-15-9-8-14(28(2,24)25)11-16(15)27-19(21)20-17(22)10-13-6-4-3-5-7-13/h3-9,11H,10,12H2,1-2H3