[1-(bromomethyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-ethylthiophene-2-carboxylate

Systemtic Name: [1-(bromomethyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-ethylthiophene-2-carboxylate Openeye Name: [1-(bromomethyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 4-ethylthiophene-2-carboxylate CAS Name: 4-ethyl-2-thiophenecarboxylic acid [1-(bromomethyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-(bromomethyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 4-ethylthiophene-2-carboxylate Traditional Name: 4-ethylthiophene-2-carboxylic acid [1-(bromomethyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C18H23BrN4O3S2 MolecularWeight: 487.43422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=C1)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)C4CCCC4)[O-])CBr

Isomeric SMILES

CCC1=CSC(=C1)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)C4CCCC4)[O-])CBr

InChI

InChI=1S/C18H23BrN4O3S2/c1-2-12-7-14(27-9-12)17(24)26-15-8-22(10-19)11-23(15,25)18-21-20-16(28-18)13-5-3-4-6-13/h7,9,13,15H,2-6,8,10-11H2,1H3