[1-(chloromethyl)-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-thiophen-2-ylbutanoate

Systemtic Name: [1-(chloromethyl)-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-thiophen-2-ylbutanoate Openeye Name: [1-(chloromethyl)-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [1-(chloromethyl)-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-(chloromethyl)-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [1-(chloromethyl)-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C15H19ClN4O4S3 MolecularWeight: 450.98376

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)CCCC3=CC=CS3)CCl)[O-]

Isomeric SMILES

CS(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)CCCC3=CC=CS3)CCl)[O-]

InChI

InChI=1S/C15H19ClN4O4S3/c1-27(23)15-18-17-14(26-15)20(22)10-19(9-16)8-12(20)24-13(21)6-2-4-11-5-3-7-25-11/h3,5,7,12H,2,4,6,8-10H2,1H3