O-[2-(2-bromoethyl)-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-1-oxidanidyl-imidazolidin-1-ium-2-yl] ethanethioate

Systemtic Name: O-[2-(2-bromoethyl)-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-1-oxidanidyl-imidazolidin-1-ium-2-yl] ethanethioate Openeye Name: O-[2-(2-bromoethyl)-1-(5-methylsulfonylthiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] ethanethioate CAS Name: ethanethioic acid O-[2-(2-bromoethyl)-1-(5-methylsulfonyl-2-thiazolyl)-1-oxido-2-imidazolidin-1-iumyl] ester IUPAC Name: O-[2-(2-bromoethyl)-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-1-oxidoimidazolidin-1-ium-2-yl] ethanethioate Traditional Name: ethanethioic acid O-[2-(2-bromoethyl)-1-(5-mesylthiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] ester Formula: C11H16BrN3O4S3 MolecularWeight: 430.36144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)OC1(NCC[N+]1(C2=NC=C(S2)S(=O)(=O)C)[O-])CCBr

Isomeric SMILES

CC(=S)OC1(NCC[N+]1(C2=NC=C(S2)S(=O)(=O)C)[O-])CCBr

InChI

InChI=1S/C11H16BrN3O4S3/c1-8(20)19-11(3-4-12)14-5-6-15(11,16)10-13-7-9(21-10)22(2,17)18/h7,14H,3-6H2,1-2H3