[(2S)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(S)-ethylsulfinyl]benzoate

Systemtic Name: [(2S)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(S)-ethylsulfinyl]benzoate Openeye Name: [(1S)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 2-[(S)-ethylsulfinyl]benzoate CAS Name: 2-[(S)-ethylsulfinyl]benzoic acid [(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-[(S)-ethylsulfinyl]benzoate Traditional Name: 2-[(S)-ethylsulfinyl]benzoic acid [(1S)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18BrNO4S MolecularWeight: 424.30882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC[S@](=O)C1=CC=CC=C1C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H18BrNO4S/c1-3-25(23)16-7-5-4-6-15(16)18(22)24-12(2)17(21)20-14-10-8-13(19)9-11-14/h4-12H,3H2,1-2H3,(H,20,21)/t12-,25-/m0/s1