ethyl (2S)-2-[[5-(5-azanyl-1-phenyl-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2S)-2-[[5-(5-azanyl-1-phenyl-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl (2S)-2-[[5-(5-amino-1-phenyl-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: (2S)-2-[[5-(5-amino-1-phenyl-4-pyrazolyl)-1,3,4-oxadiazol-2-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[5-(5-amino-1-phenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-oxobutanoate Traditional Name: (2S)-2-[[5-(5-amino-1-phenyl-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C17H17N5O4S MolecularWeight: 387.41298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NN=C(O1)C2=C(N(N=C2)C3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)[C@H](C(=O)C)SC1=NN=C(O1)C2=C(N(N=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C17H17N5O4S/c1-3-25-16(24)13(10(2)23)27-17-21-20-15(26-17)12-9-19-22(14(12)18)11-7-5-4-6-8-11/h4-9,13H,3,18H2,1-2H3/t13-/m0/s1