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

Systemtic Name: ethyl 3-(3-ethanoylsulfanylpropanoyl)-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl 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-carboxylic acid ethyl ester IUPAC Name: ethyl 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-carboxylic acid ethyl ester Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S2/c1-3-22-16(21)15-18(13(20)9-10-23-11(2)19)17-14(24-15)12-7-5-4-6-8-12/h4-8,15H,3,9-10H2,1-2H3