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

Systemtic Name: 3-(3-ethanoylsulfanyl-2-methyl-propanoyl)-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: 3-(3-acetylsulfanyl-2-methyl-propanoyl)-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate CAS Name: 3-[3-(acetylthio)-2-methyl-1-oxopropyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate IUPAC Name: 3-(3-acetylsulfanyl-2-methylpropanoyl)-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate Traditional Name: 3-[3-(acetylthio)-2-methyl-propanoyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate Formula: C15H15N2O4S2- MolecularWeight: 351.4206

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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)[O-]

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C(SC(=N1)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C15H16N2O4S2/c1-9(8-22-10(2)18)13(19)17-14(15(20)21)23-12(16-17)11-6-4-3-5-7-11/h3-7,9,14H,8H2,1-2H3,(H,20,21)/p-1