(phenylmethyl) 3-[(2S)-3-ethanoylsulfanyl-2-methyl-propanoyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: (phenylmethyl) 3-[(2S)-3-ethanoylsulfanyl-2-methyl-propanoyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: benzyl 3-[(2S)-3-acetylsulfanyl-2-methyl-propanoyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate CAS Name: 3-[(2S)-3-(acetylthio)-2-methyl-1-oxopropyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate Traditional Name: 3-[(2S)-3-(acetylthio)-2-methyl-propanoyl]-5-phenyl-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(CSC(=O)C)C(=O)N1C(SC(=N1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H](CSC(=O)C)C(=O)N1C(SC(=N1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S2/c1-15(14-29-16(2)25)20(26)24-21(22(27)28-13-17-9-5-3-6-10-17)30-19(23-24)18-11-7-4-8-12-18/h3-12,15,21H,13-14H2,1-2H3/t15-,21?/m1/s1