(11E)-11-(2-pyridin-2-ylsulfanylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: (11E)-11-(2-pyridin-2-ylsulfanylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: (11E)-11-[2-(2-pyridylsulfanyl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-[2-(2-pyridinylthio)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate IUPAC Name: (11E)-11-(2-pyridin-2-ylsulfanylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-[2-(2-pyridylthio)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate Formula: C22H16NO3S- MolecularWeight: 374.43234

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CCSC3=CC=CC=N3)C4=C(O1)C=CC(=C4)C(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2/C(=C\CSC3=CC=CC=N3)/C4=C(O1)C=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C22H17NO3S/c24-22(25)15-8-9-20-19(13-15)18(10-12-27-21-7-3-4-11-23-21)17-6-2-1-5-16(17)14-26-20/h1-11,13H,12,14H2,(H,24,25)/p-1/b18-10+