methyl 3-(4-bromophenyl)-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-(4-bromophenyl)-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)carbonylamino]propanoate Openeye Name: methyl 3-(4-bromophenyl)-3-[[4-methyl-2-(2-pyridyl)thiazole-5-carbonyl]amino]propanoate CAS Name: 3-(4-bromophenyl)-3-[[[4-methyl-2-(2-pyridinyl)-5-thiazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-bromophenyl)-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoate Traditional Name: 3-(4-bromophenyl)-3-[[4-methyl-2-(2-pyridyl)thiazole-5-carbonyl]amino]propionic acid methyl ester Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)NC(CC(=O)OC)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)NC(CC(=O)OC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrN3O3S/c1-12-18(28-20(23-12)15-5-3-4-10-22-15)19(26)24-16(11-17(25)27-2)13-6-8-14(21)9-7-13/h3-10,16H,11H2,1-2H3,(H,24,26)