3-(3-ethanoylsulfanylpropanoyl)-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: 3-(3-ethanoylsulfanylpropanoyl)-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: 3-(3-acetylsulfanylpropanoyl)-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate CAS Name: 3-[3-(acetylthio)-1-oxopropyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate IUPAC Name: 3-(3-acetylsulfanylpropanoyl)-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate Traditional Name: 3-[3-(acetylthio)propanoyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate Formula: C14H13N2O4S2- MolecularWeight: 337.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(SC(=N1)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(=O)SCCC(=O)N1C(SC(=N1)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H14N2O4S2/c1-9(17)21-8-7-11(18)16-13(14(19)20)22-12(15-16)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,19,20)/p-1