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

Systemtic Name: [2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate Openeye Name: [2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 1-diphenylphosphorylcyclopropanecarboxylate CAS Name: 1-diphenylphosphoryl-1-cyclopropanecarboxylic acid [2-[[4-(3-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate Traditional Name: 1-diphenylphosphorylcyclopropanecarboxylic acid [2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C27H22BrN2O4PS MolecularWeight: 581.417341

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)OCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)Br)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1(C(=O)OCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)Br)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H22BrN2O4PS/c28-20-9-7-8-19(16-20)23-18-36-26(29-23)30-24(31)17-34-25(32)27(14-15-27)35(33,21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-13,16,18H,14-15,17H2,(H,29,30,31)