[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-(2,6-dimethoxyphenyl)sulfanylbutanoate

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-(2,6-dimethoxyphenyl)sulfanylbutanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 3-(2,6-dimethoxyphenyl)sulfanylbutanoate CAS Name: 3-[(2,6-dimethoxyphenyl)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-(2,6-dimethoxyphenyl)sulfanylbutanoate Traditional Name: 3-[(2,6-dimethoxyphenyl)thio]butyric acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C22H32N4O5S2 MolecularWeight: 496.64328

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1CN(C[N+]1(C2=NN=C(S2)C(C)(C)C)[O-])C)SC3=C(C=CC=C3OC)OC

Isomeric SMILES

CC(CC(=O)OC1CN(C[N+]1(C2=NN=C(S2)C(C)(C)C)[O-])C)SC3=C(C=CC=C3OC)OC

InChI

InChI=1S/C22H32N4O5S2/c1-14(32-19-15(29-6)9-8-10-16(19)30-7)11-18(27)31-17-12-25(5)13-26(17,28)21-24-23-20(33-21)22(2,3)4/h8-10,14,17H,11-13H2,1-7H3