ethyl 5-[[(Z)-C-ethoxycarbonyl-N-phenylazanyl-carbonimidoyl]-methoxy-phosphoryl]imino-2-phenyl-1,2,3-thiadiazole-4-carboxylate

Systemtic Name: ethyl 5-[[(Z)-C-ethoxycarbonyl-N-phenylazanyl-carbonimidoyl]-methoxy-phosphoryl]imino-2-phenyl-1,2,3-thiadiazole-4-carboxylate Openeye Name: ethyl 5-[[(Z)-N-anilino-C-ethoxycarbonyl-carbonimidoyl]-methoxy-phosphoryl]imino-2-phenyl-thiadiazole-4-carboxylate CAS Name: 5-[[(1Z)-2-ethoxy-2-oxo-1-(phenylhydrazinylidene)ethyl]-methoxyphosphoryl]imino-2-phenyl-4-thiadiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(Z)-N-anilino-C-ethoxycarbonylcarbonimidoyl]-methoxyphosphoryl]imino-2-phenylthiadiazole-4-carboxylate Traditional Name: 5-[[(Z)-N-anilino-C-carbethoxy-carbonimidoyl]-methoxy-phosphoryl]imino-2-phenyl-thiadiazole-4-carboxylic acid ethyl ester Formula: C22H24N5O6PS MolecularWeight: 517.494621

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(SC1=NP(=O)(C(=NNC2=CC=CC=C2)C(=O)OCC)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(SC1=N[P@](=O)(/C(=N\NC2=CC=CC=C2)/C(=O)OCC)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H24N5O6PS/c1-4-32-21(28)18-20(35-27(25-18)17-14-10-7-11-15-17)26-34(30,31-3)19(22(29)33-5-2)24-23-16-12-8-6-9-13-16/h6-15,23H,4-5H2,1-3H3/b24-19-,26-20?/t34-/m0/s1