[(2S)-1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] pyrazine-2-carboxylate

Systemtic Name: [(2S)-1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] pyrazine-2-carboxylate Openeye Name: [(1S)-1-methyl-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [(2S)-1-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [(1S)-2-keto-1-methyl-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl] ester Formula: C17H13N5O5S MolecularWeight: 399.38062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=NC=CN=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=NC=CN=C3

InChI

InChI=1S/C17H13N5O5S/c1-10(27-16(24)13-8-18-5-6-19-13)15(23)21-17-20-14(9-28-17)11-3-2-4-12(7-11)22(25)26/h2-10H,1H3,(H,20,21,23)/t10-/m0/s1