2-[[4-[2-(diphenylmethyl)sulfanylethyl]-3-oxidanylidene-1,4-benzoxazin-8-yl]oxy]ethanoic acid

Systemtic Name: 2-[[4-[2-(diphenylmethyl)sulfanylethyl]-3-oxidanylidene-1,4-benzoxazin-8-yl]oxy]ethanoic acid Openeye Name: 2-[[4-(2-benzhydrylsulfanylethyl)-3-oxo-1,4-benzoxazin-8-yl]oxy]acetic acid CAS Name: 2-[[4-[2-[(diphenylmethyl)thio]ethyl]-3-oxo-1,4-benzoxazin-8-yl]oxy]acetic acid IUPAC Name: 2-[[4-(2-benzhydrylsulfanylethyl)-3-oxo-1,4-benzoxazin-8-yl]oxy]acetic acid Traditional Name: 2-[[4-[2-(benzhydrylthio)ethyl]-3-keto-1,4-benzoxazin-8-yl]oxy]acetic acid Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C(=CC=C2)OCC(=O)O)CCSC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C(=CC=C2)OCC(=O)O)CCSC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO5S/c27-22-16-31-24-20(12-7-13-21(24)30-17-23(28)29)26(22)14-15-32-25(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,25H,14-17H2,(H,28,29)