ethyl 2-[(2-bromanyl-4-fluoranyl-phenyl)carbonyl-phenethyl-amino]-5-methyl-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[(2-bromanyl-4-fluoranyl-phenyl)carbonyl-phenethyl-amino]-5-methyl-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(2-bromo-4-fluoro-benzoyl)-phenethyl-amino]-5-methyl-thiazole-4-carboxylate CAS Name: 2-[[(2-bromo-4-fluorophenyl)-oxomethyl]-phenethylamino]-5-methyl-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-bromo-4-fluorobenzoyl)-phenethylamino]-5-methyl-1,3-thiazole-4-carboxylate Traditional Name: 2-[(2-bromo-4-fluoro-benzoyl)-phenethyl-amino]-5-methyl-thiazole-4-carboxylic acid ethyl ester Formula: C22H20BrFN2O3S MolecularWeight: 491.373203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)F)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)F)Br)C

InChI

InChI=1S/C22H20BrFN2O3S/c1-3-29-21(28)19-14(2)30-22(25-19)26(12-11-15-7-5-4-6-8-15)20(27)17-10-9-16(24)13-18(17)23/h4-10,13H,3,11-12H2,1-2H3