3,5-bis(chloranyl)-9-methoxy-7-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepine

Systemtic Name: 3,5-bis(chloranyl)-9-methoxy-7-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepine Openeye Name: 3,5-dichloro-9-methoxy-7-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepine CAS Name: 3,5-dichloro-9-methoxy-7-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin IUPAC Name: 3,5-dichloro-9-methoxy-7-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepine Traditional Name: 3,5-dichloro-9-methoxy-7-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin Formula: C16H14Cl2OS2 MolecularWeight: 357.31776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14Cl2OS2/c1-19-10-6-15(20-2)12-8-13(18)11-5-9(17)3-4-14(11)21-16(12)7-10/h3-7,13H,8H2,1-2H3