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

Systemtic Name: 3-(3-ethanoylsulfanylpropanoyl)-5-(phenylmethyl)-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C15H15N2O4S2- MolecularWeight: 351.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(SC(=N1)CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(=O)SCCC(=O)N1C(SC(=N1)CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C15H16N2O4S2/c1-10(18)22-8-7-13(19)17-14(15(20)21)23-12(16-17)9-11-5-3-2-4-6-11/h2-6,14H,7-9H2,1H3,(H,20,21)/p-1