[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C14H9N5O5S MolecularWeight: 359.31676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)COC(=O)C3=NC=CN=C3

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)COC(=O)C3=NC=CN=C3

InChI

InChI=1S/C14H9N5O5S/c20-12(7-24-13(21)10-6-15-3-4-16-10)18-14-17-9-2-1-8(19(22)23)5-11(9)25-14/h1-6H,7H2,(H,17,18,20)