tert-butyl 5-(4-methylsulfanylphenyl)-2,3-dihydro-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: tert-butyl 5-(4-methylsulfanylphenyl)-2,3-dihydro-1,3,4-thiadiazole-2-carboxylate Openeye Name: tert-butyl 5-(4-methylsulfanylphenyl)-2,3-dihydro-1,3,4-thiadiazole-2-carboxylate CAS Name: 5-[4-(methylthio)phenyl]-2,3-dihydro-1,3,4-thiadiazole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(4-methylsulfanylphenyl)-2,3-dihydro-1,3,4-thiadiazole-2-carboxylate Traditional Name: 5-[4-(methylthio)phenyl]-2,3-dihydro-1,3,4-thiadiazole-2-carboxylic acid tert-butyl ester Formula: C14H18N2O2S2 MolecularWeight: 310.43492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1NN=C(S1)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)(C)OC(=O)C1NN=C(S1)C2=CC=C(C=C2)SC

InChI

InChI=1S/C14H18N2O2S2/c1-14(2,3)18-13(17)12-16-15-11(20-12)9-5-7-10(19-4)8-6-9/h5-8,12,16H,1-4H3