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

Systemtic Name: [2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[[4-(4-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[[4-(4-nitrophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-[[4-(4-nitrophenyl)thiazol-2-yl]amino]ethyl] ester Formula: C16H11N5O5S MolecularWeight: 385.35404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=N2)NC(=O)COC(=O)C3=NC=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=N2)NC(=O)COC(=O)C3=NC=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O5S/c22-14(8-26-15(23)12-7-17-5-6-18-12)20-16-19-13(9-27-16)10-1-3-11(4-2-10)21(24)25/h1-7,9H,8H2,(H,19,20,22)