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

Systemtic Name: 3-(3-ethanoylsulfanylpropanoyl)-5-phenethyl-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C16H17N2O4S2- MolecularWeight: 365.44718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(SC(=N1)CCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(=O)SCCC(=O)N1C(SC(=N1)CCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H18N2O4S2/c1-11(19)23-10-9-14(20)18-15(16(21)22)24-13(17-18)8-7-12-5-3-2-4-6-12/h2-6,15H,7-10H2,1H3,(H,21,22)/p-1