[2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[[5-(4-nitrophenyl)sulfonylthiazol-2-yl]amino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-[(5-nosylthiazol-2-yl)amino]ethyl] ester Formula: C16H11N5O7S2 MolecularWeight: 449.41784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CN=C(S2)NC(=O)COC(=O)C3=NC=CN=C3

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CN=C(S2)NC(=O)COC(=O)C3=NC=CN=C3

InChI

InChI=1S/C16H11N5O7S2/c22-13(9-28-15(23)12-7-17-5-6-18-12)20-16-19-8-14(29-16)30(26,27)11-3-1-10(2-4-11)21(24)25/h1-8H,9H2,(H,19,20,22)