2-[[4-[2-(2-phenylpropan-2-ylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazin-8-yl]oxy]ethanoate

Systemtic Name: 2-[[4-[2-(2-phenylpropan-2-ylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazin-8-yl]oxy]ethanoate Openeye Name: 2-[[4-[2-(1-methyl-1-phenyl-ethyl)sulfanylethyl]-2,3-dihydro-1,4-benzoxazin-8-yl]oxy]acetate CAS Name: 2-[[4-[2-(2-phenylpropan-2-ylthio)ethyl]-2,3-dihydro-1,4-benzoxazin-8-yl]oxy]acetate IUPAC Name: 2-[[4-[2-(2-phenylpropan-2-ylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazin-8-yl]oxy]acetate Traditional Name: 2-[[4-[2-(cumylthio)ethyl]-2,3-dihydro-1,4-benzoxazin-8-yl]oxy]acetate Formula: C21H24NO4S- MolecularWeight: 386.48456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)SCCN2CCOC3=C2C=CC=C3OCC(=O)[O-]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)SCCN2CCOC3=C2C=CC=C3OCC(=O)[O-]

InChI

InChI=1S/C21H25NO4S/c1-21(2,16-7-4-3-5-8-16)27-14-12-22-11-13-25-20-17(22)9-6-10-18(20)26-15-19(23)24/h3-10H,11-15H2,1-2H3,(H,23,24)/p-1