[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (2R)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] (2R)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] (2R)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2R)-2-benzamido-4-(methylthio)butanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (2R)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2R)-2-benzamido-4-(methylthio)butyric acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H20BrNO4S MolecularWeight: 450.3461

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CC=C(C=C1)Br)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO4S/c1-27-12-11-17(22-19(24)15-5-3-2-4-6-15)20(25)26-13-18(23)14-7-9-16(21)10-8-14/h2-10,17H,11-13H2,1H3,(H,22,24)/t17-/m1/s1