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

Systemtic Name: 5-ethyl-3-methylsulfanyl-7,9-bis(oxidanyl)-5H-benzo[b][1]benzothiepin-6-one Openeye Name: 5-ethyl-7,9-dihydroxy-3-methylsulfanyl-5H-benzo[b][1]benzothiepin-6-one CAS Name: 5-ethyl-7,9-dihydroxy-3-(methylthio)-5H-benzo[b][1]benzothiepin-6-one IUPAC Name: 5-ethyl-7,9-dihydroxy-3-methylsulfanyl-5H-benzo[b][1]benzothiepin-6-one Traditional Name: 5-ethyl-7,9-dihydroxy-3-(methylthio)-5H-benzo[b][1]benzothiepin-6-one Formula: C17H16O3S2 MolecularWeight: 332.43714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(C=CC(=C2)SC)SC3=CC(=CC(=C3C1=O)O)O

Isomeric SMILES

CCC1C2=C(C=CC(=C2)SC)SC3=CC(=CC(=C3C1=O)O)O

InChI

InChI=1S/C17H16O3S2/c1-3-11-12-8-10(21-2)4-5-14(12)22-15-7-9(18)6-13(19)16(15)17(11)20/h4-8,11,18-19H,3H2,1-2H3