(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(5-methylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzoate CAS Name: 4-[5-(methylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Traditional Name: 4-[5-(methylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C23H26N2O2S3 MolecularWeight: 458.65974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SC)C)C(C)(C)C

InChI

InChI=1S/C23H26N2O2S3/c1-14-11-17(23(3,4)5)12-15(2)19(14)13-27-20(26)16-7-9-18(10-8-16)25-22(28)30-21(24-25)29-6/h7-12H,13H2,1-6H3