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

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 1-diphenylphosphorylcyclopropanecarboxylate CAS Name: 1-diphenylphosphoryl-1-cyclopropanecarboxylic 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] 1-diphenylphosphorylcyclopropane-1-carboxylate Traditional Name: 1-diphenylphosphorylcyclopropanecarboxylic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C25H20N3O6PS MolecularWeight: 521.481561

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1(C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N3O6PS/c29-22(27-24-26-20-12-11-17(28(31)32)15-21(20)36-24)16-34-23(30)25(13-14-25)35(33,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,15H,13-14,16H2,(H,26,27,29)