[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] 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-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] 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 [2-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C14H14N4O4S3 MolecularWeight: 398.48036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O4S3/c1-15-12(21)16-10(19)7-22-11(20)8-3-5-9(6-4-8)18-14(23)25-13(17-18)24-2/h3-6H,7H2,1-2H3,(H2,15,16,19,21)