[2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate

Systemtic Name: [2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate Openeye Name: [2-[(5-bromothiazol-2-yl)amino]-2-oxo-ethyl] 1-diphenylphosphorylcyclopropanecarboxylate CAS Name: 1-diphenylphosphoryl-1-cyclopropanecarboxylic acid [2-[(5-bromo-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate Traditional Name: 1-diphenylphosphorylcyclopropanecarboxylic acid [2-[(5-bromothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C21H18BrN2O4PS MolecularWeight: 505.321381

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)OCC(=O)NC2=NC=C(S2)Br)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC1(C(=O)OCC(=O)NC2=NC=C(S2)Br)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18BrN2O4PS/c22-17-13-23-20(30-17)24-18(25)14-28-19(26)21(11-12-21)29(27,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H,23,24,25)