(phenylmethyl) 2-[[2-[(3-bromophenyl)methyl]-3-tert-butylsulfanyl-propanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[2-[(3-bromophenyl)methyl]-3-tert-butylsulfanyl-propanoyl]amino]ethanoate Openeye Name: benzyl 2-[[2-[(3-bromophenyl)methyl]-3-tert-butylsulfanyl-propanoyl]amino]acetate CAS Name: 2-[[2-[(3-bromophenyl)methyl]-3-(tert-butylthio)-1-oxopropyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[(3-bromophenyl)methyl]-3-tert-butylsulfanylpropanoyl]amino]acetate Traditional Name: 2-[[2-(3-bromobenzyl)-3-(tert-butylthio)propanoyl]amino]acetic acid benzyl ester Formula: C23H28BrNO3S MolecularWeight: 478.44232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO3S/c1-23(2,3)29-16-19(12-18-10-7-11-20(24)13-18)22(27)25-14-21(26)28-15-17-8-5-4-6-9-17/h4-11,13,19H,12,14-16H2,1-3H3,(H,25,27)