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

Systemtic Name: ethyl 3-(3-ethanoylsulfanylpropanoyl)-5-(methylamino)-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl 3-(3-acetylsulfanylpropanoyl)-5-(methylamino)-2H-1,3,4-thiadiazole-2-carboxylate CAS Name: 3-[3-(acetylthio)-1-oxopropyl]-5-(methylamino)-2H-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-acetylsulfanylpropanoyl)-5-(methylamino)-2H-1,3,4-thiadiazole-2-carboxylate Traditional Name: 3-[3-(acetylthio)propanoyl]-5-(methylamino)-2H-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C11H17N3O4S2 MolecularWeight: 319.40038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1N(N=C(S1)NC)C(=O)CCSC(=O)C

Isomeric SMILES

CCOC(=O)C1N(N=C(S1)NC)C(=O)CCSC(=O)C

InChI

InChI=1S/C11H17N3O4S2/c1-4-18-10(17)9-14(13-11(12-3)20-9)8(16)5-6-19-7(2)15/h9H,4-6H2,1-3H3,(H,12,13)