[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)butanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)butanoate CAS Name: (2S)-2-(1,3-benzoxazol-2-ylthio)butanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)butanoate Traditional Name: (2S)-2-(1,3-benzoxazol-2-ylthio)butyric acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C19H16BrNO4S MolecularWeight: 434.30364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)C1=CC=C(C=C1)Br)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC[C@@H](C(=O)OCC(=O)C1=CC=C(C=C1)Br)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H16BrNO4S/c1-2-17(26-19-21-14-5-3-4-6-16(14)25-19)18(23)24-11-15(22)12-7-9-13(20)10-8-12/h3-10,17H,2,11H2,1H3/t17-/m0/s1