methyl 4-bromanyl-2-(octadecylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-bromanyl-2-(octadecylamino)-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-bromo-2-(octadecylamino)thiazole-5-carboxylate CAS Name: 4-bromo-2-(octadecylamino)-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-2-(octadecylamino)-1,3-thiazole-5-carboxylate Traditional Name: 4-bromo-2-(stearylamino)thiazole-5-carboxylic acid methyl ester Formula: C23H41BrN2O2S MolecularWeight: 489.55284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=NC(=C(S1)C(=O)OC)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=NC(=C(S1)C(=O)OC)Br

InChI

InChI=1S/C23H41BrN2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-23-26-21(24)20(29-23)22(27)28-2/h3-19H2,1-2H3,(H,25,26)