ethyl 2-[(5-bromanylpyridin-3-yl)carbonyl-phenethyl-amino]-5-methyl-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[(5-bromanylpyridin-3-yl)carbonyl-phenethyl-amino]-5-methyl-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(5-bromopyridine-3-carbonyl)-phenethyl-amino]-5-methyl-thiazole-4-carboxylate CAS Name: 2-[[(5-bromo-3-pyridinyl)-oxomethyl]-phenethylamino]-5-methyl-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromopyridine-3-carbonyl)-phenethylamino]-5-methyl-1,3-thiazole-4-carboxylate Traditional Name: 2-[(5-bromonicotinoyl)-phenethyl-amino]-5-methyl-thiazole-4-carboxylic acid ethyl ester Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O3S/c1-3-28-20(27)18-14(2)29-21(24-18)25(10-9-15-7-5-4-6-8-15)19(26)16-11-17(22)13-23-12-16/h4-8,11-13H,3,9-10H2,1-2H3