2-[[2-[(7-chloranylquinolin-2-yl)methoxy]-11-oxidanylidene-6H-benzo[c][1]benzoxepin-8-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[2-[(7-chloranylquinolin-2-yl)methoxy]-11-oxidanylidene-6H-benzo[c][1]benzoxepin-8-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[2-[(7-chloro-2-quinolyl)methoxy]-11-oxo-6H-benzo[c][1]benzoxepin-8-yl]sulfanyl]acetic acid CAS Name: 2-[[2-[(7-chloro-2-quinolinyl)methoxy]-11-oxo-6H-benzo[c][1]benzoxepin-8-yl]thio]acetic acid IUPAC Name: 2-[[2-[(7-chloroquinolin-2-yl)methoxy]-11-oxo-6H-benzo[c][1]benzoxepin-8-yl]sulfanyl]acetic acid Traditional Name: 2-[[2-[(7-chloro-2-quinolyl)methoxy]-11-keto-6H-benzo[c][1]benzoxepin-8-yl]thio]acetic acid Formula: C26H18ClNO5S MolecularWeight: 491.94282

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)SCC(=O)O)C(=O)C3=C(O1)C=CC(=C3)OCC4=NC5=C(C=CC(=C5)Cl)C=C4

Isomeric SMILES

C1C2=C(C=CC(=C2)SCC(=O)O)C(=O)C3=C(O1)C=CC(=C3)OCC4=NC5=C(C=CC(=C5)Cl)C=C4

InChI

InChI=1S/C26H18ClNO5S/c27-17-3-1-15-2-4-18(28-23(15)10-17)13-32-19-5-8-24-22(11-19)26(31)21-7-6-20(34-14-25(29)30)9-16(21)12-33-24/h1-11H,12-14H2,(H,29,30)