[3-(2-methyl-3-sulfanyl-propanoyl)-5-phenyl-2H-1,3,4-thiadiazol-2-yl] hydrogen carbonate

Systemtic Name: [3-(2-methyl-3-sulfanyl-propanoyl)-5-phenyl-2H-1,3,4-thiadiazol-2-yl] hydrogen carbonate Openeye Name: [3-(2-methyl-3-sulfanyl-propanoyl)-5-phenyl-2H-1,3,4-thiadiazol-2-yl] hydrogen carbonate CAS Name: carbonic acid [3-(3-mercapto-2-methyl-1-oxopropyl)-5-phenyl-2H-1,3,4-thiadiazol-2-yl] ester IUPAC Name: [3-(2-methyl-3-sulfanylpropanoyl)-5-phenyl-2H-1,3,4-thiadiazol-2-yl] hydrogen carbonate Traditional Name: carbonic acid [3-(3-mercapto-2-methyl-propanoyl)-5-phenyl-2H-1,3,4-thiadiazol-2-yl] ester Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1C(SC(=N1)C2=CC=CC=C2)OC(=O)O

Isomeric SMILES

CC(CS)C(=O)N1C(SC(=N1)C2=CC=CC=C2)OC(=O)O

InChI

InChI=1S/C13H14N2O4S2/c1-8(7-20)11(16)15-12(19-13(17)18)21-10(14-15)9-5-3-2-4-6-9/h2-6,8,12,20H,7H2,1H3,(H,17,18)