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

Systemtic Name: (phenylmethyl) 3-(3-ethanoylsulfanylpropanoyl)-5-phenethyl-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: benzyl 3-(3-acetylsulfanylpropanoyl)-5-phenethyl-2H-1,3,4-thiadiazole-2-carboxylate CAS Name: 3-[3-(acetylthio)-1-oxopropyl]-5-phenethyl-2H-1,3,4-thiadiazole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-acetylsulfanylpropanoyl)-5-phenethyl-2H-1,3,4-thiadiazole-2-carboxylate Traditional Name: 3-[3-(acetylthio)propanoyl]-5-phenethyl-2H-1,3,4-thiadiazole-2-carboxylic acid benzyl ester Formula: C23H24N2O4S2 MolecularWeight: 456.57766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(SC(=N1)CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCCC(=O)N1C(SC(=N1)CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O4S2/c1-17(26)30-15-14-21(27)25-22(23(28)29-16-19-10-6-3-7-11-19)31-20(24-25)13-12-18-8-4-2-5-9-18/h2-11,22H,12-16H2,1H3