[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Br)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Br)SC

InChI

InChI=1S/C20H19BrN2O5S/c1-12(24)23-16-9-14(5-8-18(16)29-2)17(25)11-28-19(26)10-22-20(27)13-3-6-15(21)7-4-13/h3-9H,10-11H2,1-2H3,(H,22,27)(H,23,24)