[3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 5-methylthiophene-2-carboxylate

Systemtic Name: [3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 5-methylthiophene-2-carboxylate Openeye Name: [3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 5-methylthiophene-2-carboxylate CAS Name: 5-methyl-2-thiophenecarboxylic acid [3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 5-methylthiophene-2-carboxylate Traditional Name: 5-methylthiophene-2-carboxylic acid [3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C13H15ClN4O3S2 MolecularWeight: 374.8662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)CCl)[O-])C

Isomeric SMILES

CC1=CC=C(S1)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)CCl)[O-])C

InChI

InChI=1S/C13H15ClN4O3S2/c1-8-3-4-9(22-8)12(19)21-11-6-17(2)7-18(11,20)13-16-15-10(5-14)23-13/h3-4,11H,5-7H2,1-2H3