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

Systemtic Name: [1-methyl-3-oxidanidyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 3-ethoxybenzoate Openeye Name: [1-methyl-3-oxido-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 3-ethoxybenzoate CAS Name: 3-ethoxybenzoic acid [1-methyl-3-oxido-3-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 3-ethoxybenzoate Traditional Name: 3-ethoxybenzoic acid [1-methyl-3-oxido-3-[5-(propylthio)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ester Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC(=CC=C3)OCC)C)[O-]

Isomeric SMILES

CCCSC1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC(=CC=C3)OCC)C)[O-]

InChI

InChI=1S/C18H24N4O4S2/c1-4-9-27-18-20-19-17(28-18)22(24)12-21(3)11-15(22)26-16(23)13-7-6-8-14(10-13)25-5-2/h6-8,10,15H,4-5,9,11-12H2,1-3H3