[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-bromophenyl)sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)COC(=O)CSC2=CC=C(C=C2)Br

InChI

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