9-methoxy-3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

Systemtic Name: 9-methoxy-3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one Openeye Name: 9-methoxy-3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one CAS Name: 9-methoxy-3-(methylthio)-6H-benzo[b][1]benzothiepin-5-one IUPAC Name: 9-methoxy-3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one Traditional Name: 9-methoxy-3-(methylthio)-6H-benzo[b][1]benzothiepin-5-one Formula: C16H14O2S2 MolecularWeight: 302.41116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14O2S2/c1-18-11-4-3-10-7-14(17)13-9-12(19-2)5-6-15(13)20-16(10)8-11/h3-6,8-9H,7H2,1-2H3