methyl 2-[6-bromanyl-2-(2-ethanoylsulfonylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-bromanyl-2-(2-ethanoylsulfonylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-acetylsulfonylacetyl)imino-6-bromo-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-(2-acetylsulfonyl-1-oxoethyl)imino-6-bromo-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-acetylsulfonylacetyl)imino-6-bromo-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-acetylsulfonylacetyl)imino-6-bromo-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C14H13BrN2O6S2 MolecularWeight: 449.29682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)S(=O)(=O)CC(=O)N=C1N(C2=C(S1)C=C(C=C2)Br)CC(=O)OC

Isomeric SMILES

CC(=O)S(=O)(=O)CC(=O)N=C1N(C2=C(S1)C=C(C=C2)Br)CC(=O)OC

InChI

InChI=1S/C14H13BrN2O6S2/c1-8(18)25(21,22)7-12(19)16-14-17(6-13(20)23-2)10-4-3-9(15)5-11(10)24-14/h3-5H,6-7H2,1-2H3