5,5-diethyl-3-methylsulfanyl-7,9-bis(oxidanyl)benzo[b][1]benzothiepin-6-one

Systemtic Name: 5,5-diethyl-3-methylsulfanyl-7,9-bis(oxidanyl)benzo[b][1]benzothiepin-6-one Openeye Name: 5,5-diethyl-7,9-dihydroxy-3-methylsulfanyl-benzo[b][1]benzothiepin-6-one CAS Name: 5,5-diethyl-7,9-dihydroxy-3-(methylthio)-6-benzo[b][1]benzothiepinone IUPAC Name: 5,5-diethyl-7,9-dihydroxy-3-methylsulfanylbenzo[b][1]benzothiepin-6-one Traditional Name: 5,5-diethyl-7,9-dihydroxy-3-(methylthio)benzo[b][1]benzothiepin-6-one Formula: C19H20O3S2 MolecularWeight: 360.4903

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)SC)SC3=CC(=CC(=C3C1=O)O)O)CC

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)SC)SC3=CC(=CC(=C3C1=O)O)O)CC

InChI

InChI=1S/C19H20O3S2/c1-4-19(5-2)13-10-12(23-3)6-7-15(13)24-16-9-11(20)8-14(21)17(16)18(19)22/h6-10,20-21H,4-5H2,1-3H3