3-(3-ethanoylsulfanylpropanoyl)-5-(methylamino)-2H-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 3-(3-ethanoylsulfanylpropanoyl)-5-(methylamino)-2H-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 3-(3-acetylsulfanylpropanoyl)-5-(methylamino)-2H-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 3-[3-(acetylthio)-1-oxopropyl]-5-(methylamino)-2H-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 3-(3-acetylsulfanylpropanoyl)-5-(methylamino)-2H-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 3-[3-(acetylthio)propanoyl]-5-(methylamino)-2H-1,3,4-thiadiazole-2-carboxylic acid Formula: C9H13N3O4S2 MolecularWeight: 291.34722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(SC(=N1)NC)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)N1C(SC(=N1)NC)C(=O)O

InChI

InChI=1S/C9H13N3O4S2/c1-5(13)17-4-3-6(14)12-7(8(15)16)18-9(10-2)11-12/h7H,3-4H2,1-2H3,(H,10,11)(H,15,16)