2-[(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[(1R)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(1R)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl]-4-methyl-thiazole-5-carboxylate Formula: C14H12BrN2O3S- MolecularWeight: 368.22568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C(C)C(=O)NC2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)[C@H](C)C(=O)NC2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C14H13BrN2O3S/c1-7(13-16-8(2)11(21-13)14(19)20)12(18)17-10-5-3-9(15)4-6-10/h3-7H,1-2H3,(H,17,18)(H,19,20)/p-1/t7-/m1/s1