3-methylsulfanyl-11-oxidanylidene-benzo[b][1]benzothiepine-9-carbaldehyde

Systemtic Name: 3-methylsulfanyl-11-oxidanylidene-benzo[b][1]benzothiepine-9-carbaldehyde Openeye Name: 3-methylsulfanyl-11-oxo-benzo[b][1]benzothiepine-9-carbaldehyde CAS Name: 3-(methylthio)-11-oxo-9-benzo[b][1]benzothiepincarboxaldehyde IUPAC Name: 3-methylsulfanyl-11-oxobenzo[b][1]benzothiepine-9-carbaldehyde Traditional Name: 11-keto-3-(methylthio)benzo[b][1]benzothiepin-9-carbaldehyde Formula: C16H12O2S2 MolecularWeight: 300.39528

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)S(=O)C3=C(C=CC(=C3)C=O)C=C2

Isomeric SMILES

CSC1=CC2=C(C=C1)S(=O)C3=C(C=CC(=C3)C=O)C=C2

InChI

InChI=1S/C16H12O2S2/c1-19-14-6-7-15-13(9-14)5-4-12-3-2-11(10-17)8-16(12)20(15)18/h2-10H,1H3