[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-ethylthiadiazole-5-carboxylate CAS Name: 4-ethyl-5-thiadiazolecarboxylic acid [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate Traditional Name: 4-ethylthiadiazole-5-carboxylic acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C14H14N4O5S MolecularWeight: 350.34976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SN=N1)C(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC1=C(SN=N1)C(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O5S/c1-3-9-12(24-17-16-9)14(20)23-8(2)13(19)15-10-6-4-5-7-11(10)18(21)22/h4-8H,3H2,1-2H3,(H,15,19)/t8-/m0/s1