[1-methyl-3-oxidanidyl-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] thiophene-2-carboxylate

Systemtic Name: [1-methyl-3-oxidanidyl-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] thiophene-2-carboxylate Openeye Name: [1-methyl-3-oxido-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [1-methyl-3-oxido-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [1-methyl-3-oxido-3-(5-propylsulfinyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] ester Formula: C14H18N4O4S3 MolecularWeight: 402.51212

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=CS3)C)[O-]

Isomeric SMILES

CCCS(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=CS3)C)[O-]

InChI

InChI=1S/C14H18N4O4S3/c1-3-7-25(21)14-16-15-13(24-14)18(20)9-17(2)8-11(18)22-12(19)10-5-4-6-23-10/h4-6,11H,3,7-9H2,1-2H3