[3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-chloranyl-3-methyl-furan-2-carboxylate

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-chloranyl-3-methyl-furan-2-carboxylate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4-chloro-3-methyl-furan-2-carboxylate CAS Name: 4-chloro-3-methyl-2-furancarboxylic acid [3-(5-bromo-2-thiazolyl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 4-chloro-3-methylfuran-2-carboxylate Traditional Name: 4-chloro-3-methyl-furan-2-carboxylic acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C13H13BrClN3O4S MolecularWeight: 422.68202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1Cl)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])C

Isomeric SMILES

CC1=C(OC=C1Cl)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])C

InChI

InChI=1S/C13H13BrClN3O4S/c1-7-8(15)5-21-11(7)12(19)22-10-4-17(2)6-18(10,20)13-16-3-9(14)23-13/h3,5,10H,4,6H2,1-2H3