2-[[1-[2-(diphenylmethyl)sulfanylethyl]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-6-yl]oxy]ethanoic acid

Systemtic Name: 2-[[1-[2-(diphenylmethyl)sulfanylethyl]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-6-yl]oxy]ethanoic acid Openeye Name: 2-[[1-(2-benzhydrylsulfanylethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-6-yl]oxy]acetic acid CAS Name: 2-[[1-[2-[(diphenylmethyl)thio]ethyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-6-yl]oxy]acetic acid IUPAC Name: 2-[[1-(2-benzhydrylsulfanylethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-6-yl]oxy]acetic acid Traditional Name: 2-[[1-[2-(benzhydrylthio)ethyl]-2-keto-4,5-dihydro-3H-1-benzazepin-6-yl]oxy]acetic acid Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2OCC(=O)O)N(C(=O)C1)CCSC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C=CC=C2OCC(=O)O)N(C(=O)C1)CCSC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27NO4S/c29-25-16-7-13-22-23(14-8-15-24(22)32-19-26(30)31)28(25)17-18-33-27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,8-12,14-15,27H,7,13,16-19H2,(H,30,31)