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

Systemtic Name: [(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethylthiadiazole-5-carboxylate CAS Name: 4-ethyl-5-thiadiazolecarboxylic acid [(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-ethylthiadiazole-5-carboxylate Traditional Name: 4-ethylthiadiazole-5-carboxylic acid [(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C18H22N4O3S MolecularWeight: 374.45728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SN=N1)C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(SN=N1)C(=O)O[C@@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3S/c1-3-15-16(26-20-19-15)18(24)25-13(2)17(23)22-11-9-21(10-12-22)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3/t13-/m0/s1