[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-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 [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 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-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C19H16N4O5S3 MolecularWeight: 476.54914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SC

InChI

InChI=1S/C19H16N4O5S3/c1-11(16(24)20-14-5-3-4-6-15(14)23(26)27)28-17(25)12-7-9-13(10-8-12)22-19(29)31-18(21-22)30-2/h3-11H,1-2H3,(H,20,24)