(phenylmethyl) 2-[[2-[(4-bromophenyl)methyl]-3-ethanoylsulfanyl-propanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[2-[(4-bromophenyl)methyl]-3-ethanoylsulfanyl-propanoyl]amino]ethanoate Openeye Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-(4-bromophenyl)propanoyl]amino]acetate CAS Name: 2-[[2-[(acetylthio)methyl]-3-(4-bromophenyl)-1-oxopropyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-(4-bromophenyl)propanoyl]amino]acetate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-(4-bromophenyl)propanoyl]amino]acetic acid benzyl ester Formula: C21H22BrNO4S MolecularWeight: 464.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=C(C=C1)Br)C(=O)NCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(CC1=CC=C(C=C1)Br)C(=O)NCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22BrNO4S/c1-15(24)28-14-18(11-16-7-9-19(22)10-8-16)21(26)23-12-20(25)27-13-17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3,(H,23,26)