2-[[4-[2-(1,1-diphenylethylsulfanyl)ethyl]-3-oxidanylidene-1,4-benzoxazin-8-yl]oxy]ethanoate

Systemtic Name: 2-[[4-[2-(1,1-diphenylethylsulfanyl)ethyl]-3-oxidanylidene-1,4-benzoxazin-8-yl]oxy]ethanoate Openeye Name: 2-[[4-[2-(1,1-diphenylethylsulfanyl)ethyl]-3-oxo-1,4-benzoxazin-8-yl]oxy]acetate CAS Name: 2-[[4-[2-(1,1-diphenylethylthio)ethyl]-3-oxo-1,4-benzoxazin-8-yl]oxy]acetate IUPAC Name: 2-[[4-[2-(1,1-diphenylethylsulfanyl)ethyl]-3-oxo-1,4-benzoxazin-8-yl]oxy]acetate Traditional Name: 2-[[4-[2-(1,1-diphenylethylthio)ethyl]-3-keto-1,4-benzoxazin-8-yl]oxy]acetate Formula: C26H24NO5S- MolecularWeight: 462.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)SCCN3C(=O)COC4=C3C=CC=C4OCC(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)SCCN3C(=O)COC4=C3C=CC=C4OCC(=O)[O-]

InChI

InChI=1S/C26H25NO5S/c1-26(19-9-4-2-5-10-19,20-11-6-3-7-12-20)33-16-15-27-21-13-8-14-22(31-18-24(29)30)25(21)32-17-23(27)28/h2-14H,15-18H2,1H3,(H,29,30)/p-1