5-(4-oxidanylidenebutyl)-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: 5-(4-oxidanylidenebutyl)-1,3,4-thiadiazole-2-carboxylate Openeye Name: 5-(4-oxobutyl)-1,3,4-thiadiazole-2-carboxylate CAS Name: 5-(4-oxobutyl)-1,3,4-thiadiazole-2-carboxylate IUPAC Name: 5-(4-oxobutyl)-1,3,4-thiadiazole-2-carboxylate Traditional Name: 5-(4-ketobutyl)-1,3,4-thiadiazole-2-carboxylate Formula: C7H7N2O3S- MolecularWeight: 199.20708

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Descriptors Computed from Structure

Canonical SMILES:

C(CC=O)CC1=NN=C(S1)C(=O)[O-]

Isomeric SMILES

C(CC=O)CC1=NN=C(S1)C(=O)[O-]

InChI

InChI=1S/C7H8N2O3S/c10-4-2-1-3-5-8-9-6(13-5)7(11)12/h4H,1-3H2,(H,11,12)/p-1