methyl 2-[6-bromanyl-2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-bromanyl-2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[1-oxo-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfonylethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[2-(2-keto-2-pyrrolidino-ethyl)sulfonylacetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H20BrN3O6S2 MolecularWeight: 518.4019

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC3

InChI

InChI=1S/C18H20BrN3O6S2/c1-28-17(25)9-22-13-5-4-12(19)8-14(13)29-18(22)20-15(23)10-30(26,27)11-16(24)21-6-2-3-7-21/h4-5,8H,2-3,6-7,9-11H2,1H3