[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H18BrNO3S/c1-13(18(22)20-11-14-5-3-2-4-6-14)23-17(21)12-24-16-9-7-15(19)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,22)/t13-/m1/s1