2-(4-bromanylphenoxy)ethyl (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: 2-(4-bromophenoxy)ethyl (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid 2-(4-bromophenoxy)ethyl ester Formula: C21H24BrNO5S MolecularWeight: 482.38796

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCCOC1=CC=C(C=C1)Br)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)OCCOC1=CC=C(C=C1)Br)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H24BrNO5S/c1-29-14-11-19(23-20(24)15-28-17-5-3-2-4-6-17)21(25)27-13-12-26-18-9-7-16(22)8-10-18/h2-10,19H,11-15H2,1H3,(H,23,24)/t19-/m0/s1