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

Systemtic Name: (phenylmethyl) 3-(3-ethanoylsulfanylpropanoyl)-5-(phenylmethyl)-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: benzyl 3-(3-acetylsulfanylpropanoyl)-5-benzyl-2H-1,3,4-thiadiazole-2-carboxylate CAS Name: 3-[3-(acetylthio)-1-oxopropyl]-5-(phenylmethyl)-2H-1,3,4-thiadiazole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-acetylsulfanylpropanoyl)-5-benzyl-2H-1,3,4-thiadiazole-2-carboxylate Traditional Name: 3-[3-(acetylthio)propanoyl]-5-benzyl-2H-1,3,4-thiadiazole-2-carboxylic acid benzyl ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(SC(=N1)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCCC(=O)N1C(SC(=N1)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S2/c1-16(25)29-13-12-20(26)24-21(22(27)28-15-18-10-6-3-7-11-18)30-19(23-24)14-17-8-4-2-5-9-17/h2-11,21H,12-15H2,1H3