2-oxidanylidenepropyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: 2-oxidanylidenepropyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: acetonyl 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 2-oxopropyl ester IUPAC Name: 2-oxopropyl 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 acetonyl ester Formula: C13H12N2O3S3 MolecularWeight: 340.44098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC=C(C=C1)N2C(=S)SC(=N2)SC

Isomeric SMILES

CC(=O)COC(=O)C1=CC=C(C=C1)N2C(=S)SC(=N2)SC

InChI

InChI=1S/C13H12N2O3S3/c1-8(16)7-18-11(17)9-3-5-10(6-4-9)15-13(19)21-12(14-15)20-2/h3-6H,7H2,1-2H3