diethoxyphosphorylmethyl 5-bromanyl-1,3-thiazole-4-carboxylate

Systemtic Name: diethoxyphosphorylmethyl 5-bromanyl-1,3-thiazole-4-carboxylate Openeye Name: diethoxyphosphorylmethyl 5-bromothiazole-4-carboxylate CAS Name: 5-bromo-4-thiazolecarboxylic acid diethoxyphosphorylmethyl ester IUPAC Name: diethoxyphosphorylmethyl 5-bromo-1,3-thiazole-4-carboxylate Traditional Name: 5-bromothiazole-4-carboxylic acid diethoxyphosphorylmethyl ester Formula: C9H13BrNO5PS MolecularWeight: 358.145981

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC(=O)C1=C(SC=N1)Br)OCC

Isomeric SMILES

CCOP(=O)(COC(=O)C1=C(SC=N1)Br)OCC

InChI

InChI=1S/C9H13BrNO5PS/c1-3-15-17(13,16-4-2)6-14-9(12)7-8(10)18-5-11-7/h5H,3-4,6H2,1-2H3