2-bromoethyl 3-[(3-ethanoylsulfanyl-2-methyl-2-phenyl-propanoyl)amino]benzoate

Systemtic Name: 2-bromoethyl 3-[(3-ethanoylsulfanyl-2-methyl-2-phenyl-propanoyl)amino]benzoate Openeye Name: 2-bromoethyl 3-[(3-acetylsulfanyl-2-methyl-2-phenyl-propanoyl)amino]benzoate CAS Name: 3-[[3-(acetylthio)-2-methyl-1-oxo-2-phenylpropyl]amino]benzoic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl 3-[(3-acetylsulfanyl-2-methyl-2-phenylpropanoyl)amino]benzoate Traditional Name: 3-[[3-(acetylthio)-2-methyl-2-phenyl-propanoyl]amino]benzoic acid 2-bromoethyl ester Formula: C21H22BrNO4S MolecularWeight: 464.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C)(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)OCCBr

Isomeric SMILES

CC(=O)SCC(C)(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)OCCBr

InChI

InChI=1S/C21H22BrNO4S/c1-15(24)28-14-21(2,17-8-4-3-5-9-17)20(26)23-18-10-6-7-16(13-18)19(25)27-12-11-22/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)