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

Systemtic Name: ethyl 5-(4-chlorophenyl)-3-(3-ethanoylsulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl 3-(3-acetylsulfanylpropanoyl)-5-(4-chlorophenyl)-2H-1,3,4-thiadiazole-2-carboxylate CAS Name: 3-[3-(acetylthio)-1-oxopropyl]-5-(4-chlorophenyl)-2H-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-acetylsulfanylpropanoyl)-5-(4-chlorophenyl)-2H-1,3,4-thiadiazole-2-carboxylate Traditional Name: 3-[3-(acetylthio)propanoyl]-5-(4-chlorophenyl)-2H-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C16H17ClN2O4S2 MolecularWeight: 400.90018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1N(N=C(S1)C2=CC=C(C=C2)Cl)C(=O)CCSC(=O)C

Isomeric SMILES

CCOC(=O)C1N(N=C(S1)C2=CC=C(C=C2)Cl)C(=O)CCSC(=O)C

InChI

InChI=1S/C16H17ClN2O4S2/c1-3-23-16(22)15-19(13(21)8-9-24-10(2)20)18-14(25-15)11-4-6-12(17)7-5-11/h4-7,15H,3,8-9H2,1-2H3