[1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(3-methylthiophen-2-yl)ethanoate

Systemtic Name: [1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(3-methylthiophen-2-yl)ethanoate Openeye Name: [1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 2-(3-methyl-2-thienyl)acetate CAS Name: 2-(3-methyl-2-thiophenyl)acetic acid [1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 2-(3-methylthiophen-2-yl)acetate Traditional Name: 2-(3-methyl-2-thienyl)acetic acid [1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C14H18N4O3S2 MolecularWeight: 354.44772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CC(=O)OC2CN(C[N+]2(C3=NN=C(S3)C)[O-])C

Isomeric SMILES

CC1=C(SC=C1)CC(=O)OC2CN(C[N+]2(C3=NN=C(S3)C)[O-])C

InChI

InChI=1S/C14H18N4O3S2/c1-9-4-5-22-11(9)6-13(19)21-12-7-17(3)8-18(12,20)14-16-15-10(2)23-14/h4-5,12H,6-8H2,1-3H3