5-chloranyl-9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepine

Systemtic Name: 5-chloranyl-9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepine Openeye Name: 5-chloro-9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepine CAS Name: 5-chloro-9-methoxy-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin IUPAC Name: 5-chloro-9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepine Traditional Name: 5-chloro-9-methoxy-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin Formula: C16H15ClOS2 MolecularWeight: 322.8727

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC(C3=C(S2)C=CC(=C3)SC)Cl)C=C1

Isomeric SMILES

COC1=CC2=C(CC(C3=C(S2)C=CC(=C3)SC)Cl)C=C1

InChI

InChI=1S/C16H15ClOS2/c1-18-11-4-3-10-7-14(17)13-9-12(19-2)5-6-15(13)20-16(10)8-11/h3-6,8-9,14H,7H2,1-2H3