2-[(7-chloranylquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepine-11-thiol

Systemtic Name: 2-[(7-chloranylquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepine-11-thiol Openeye Name: 2-[(7-chloro-2-quinolyl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepine-11-thiol CAS Name: 2-[(7-chloro-2-quinolinyl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-thiol IUPAC Name: 2-[(7-chloroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepine-11-thiol Traditional Name: 2-[(7-chloro-2-quinolyl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-thiol Formula: C24H18ClNO2S MolecularWeight: 419.92322

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)OCC4=NC5=C(C=CC(=C5)Cl)C=C4)S

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)OCC4=NC5=C(C=CC(=C5)Cl)C=C4)S

InChI

InChI=1S/C24H18ClNO2S/c25-17-7-5-15-6-8-18(26-22(15)11-17)14-27-19-9-10-23-21(12-19)24(29)20-4-2-1-3-16(20)13-28-23/h1-12,24,29H,13-14H2