(11E)-11-(2-quinolin-2-ylsulfanylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: (11E)-11-(2-quinolin-2-ylsulfanylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: (11E)-11-[2-(2-quinolylsulfanyl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid CAS Name: (11E)-11-[2-(2-quinolinylthio)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: (11E)-11-(2-quinolin-2-ylsulfanylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: (11E)-11-[2-(2-quinolylthio)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid Formula: C26H19NO3S MolecularWeight: 425.49896

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CCSC3=NC4=CC=CC=C4C=C3)C5=C(O1)C=CC(=C5)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2/C(=C\CSC3=NC4=CC=CC=C4C=C3)/C5=C(O1)C=CC(=C5)C(=O)O

InChI

InChI=1S/C26H19NO3S/c28-26(29)18-9-11-24-22(15-18)21(20-7-3-1-6-19(20)16-30-24)13-14-31-25-12-10-17-5-2-4-8-23(17)27-25/h1-13,15H,14,16H2,(H,28,29)/b21-13+