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

Systemtic Name: 2-[(2S)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[(1S)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]thiazole-4-carboxylate CAS Name: 2-[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl]-4-thiazolecarboxylate IUPAC Name: 2-[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(1S)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl]thiazole-4-carboxylate Formula: C13H10BrN2O3S- MolecularWeight: 354.1991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=CS1)C(=O)[O-])C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C1=NC(=CS1)C(=O)[O-])C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H11BrN2O3S/c1-7(12-16-10(6-20-12)13(18)19)11(17)15-9-4-2-8(14)3-5-9/h2-7H,1H3,(H,15,17)(H,18,19)/p-1/t7-/m0/s1