[(2S)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 4-(1,3-thiazol-4-ylmethoxy)benzoate

Systemtic Name: [(2S)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [(1S)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 4-(thiazol-4-ylmethoxy)benzoate CAS Name: 4-(4-thiazolylmethoxy)benzoic acid [(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 4-(thiazol-4-ylmethoxy)benzoic acid [(1S)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H16BrNO4S MolecularWeight: 446.31434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

InChI

InChI=1S/C20H16BrNO4S/c1-13(19(23)14-2-6-16(21)7-3-14)26-20(24)15-4-8-18(9-5-15)25-10-17-11-27-12-22-17/h2-9,11-13H,10H2,1H3/t13-/m0/s1