methyl 4-[[4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)phenyl]carbonyloxymethyl]benzoate

Systemtic Name: methyl 4-[[4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)phenyl]carbonyloxymethyl]benzoate Openeye Name: methyl 4-[[4-(5-methylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzoyl]oxymethyl]benzoate CAS Name: 4-[[[4-[5-(methylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]phenyl]-oxomethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoyl]oxymethyl]benzoate Traditional Name: 4-[[4-[5-(methylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzoyl]oxymethyl]benzoic acid methyl ester Formula: C19H16N2O4S3 MolecularWeight: 432.53634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SC

InChI

InChI=1S/C19H16N2O4S3/c1-24-16(22)13-5-3-12(4-6-13)11-25-17(23)14-7-9-15(10-8-14)21-19(26)28-18(20-21)27-2/h3-10H,11H2,1-2H3