[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate CAS Name: 2,4-dioxo-1H-pyrimidine-5-carboxylic 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] 2,4-dioxo-1H-pyrimidine-5-carboxylate Traditional Name: 2,4-diketo-1H-pyrimidine-5-carboxylic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C14H9N5O7S MolecularWeight: 391.31556

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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=CNC(=O)NC3=O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)COC(=O)C3=CNC(=O)NC3=O

InChI

InChI=1S/C14H9N5O7S/c20-10(5-26-12(22)7-4-15-13(23)18-11(7)21)17-14-16-8-2-1-6(19(24)25)3-9(8)27-14/h1-4H,5H2,(H,16,17,20)(H2,15,18,21,23)