methyl 2-[[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxo-acetate CAS Name: 2-[[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetate Traditional Name: 2-keto-2-[[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]amino]acetic acid methyl ester Formula: C12H10N4O5S2 MolecularWeight: 354.3616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O5S2/c1-21-10(18)9(17)13-11-14-15-12(23-11)22-6-7-2-4-8(5-3-7)16(19)20/h2-5H,6H2,1H3,(H,13,14,17)