[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-(4-ethylthiophen-2-yl)sulfanylbutanoate

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-(4-ethylthiophen-2-yl)sulfanylbutanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 3-[(4-ethyl-2-thienyl)sulfanyl]butanoate CAS Name: 3-[(4-ethyl-2-thiophenyl)thio]butanoic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 3-(4-ethylthiophen-2-yl)sulfanylbutanoate Traditional Name: 3-[(4-ethyl-2-thienyl)thio]butyric acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H30N4O3S3 MolecularWeight: 470.6722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S3/c1-7-14-9-17(28-11-14)29-13(2)8-16(25)27-15-10-23(6)12-24(15,26)19-22-21-18(30-19)20(3,4)5/h9,11,13,15H,7-8,10,12H2,1-6H3