[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate CAS Name: (2R)-2-[(4-bromophenyl)methylthio]propanoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-[(4-bromophenyl)methylsulfanyl]propanoate Traditional Name: (2R)-2-[(4-bromobenzyl)thio]propionic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C16H22BrNO3S MolecularWeight: 388.31978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C(C)SCC1=CC=C(C=C1)Br

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NCC(C)C)SCC1=CC=C(C=C1)Br

InChI

InChI=1S/C16H22BrNO3S/c1-11(2)8-18-15(19)9-21-16(20)12(3)22-10-13-4-6-14(17)7-5-13/h4-7,11-12H,8-10H2,1-3H3,(H,18,19)/t12-/m1/s1