6-ethyl-9-methylsulfanyl-2,4-bis(oxidanyl)-6H-benzo[b][1]benzothiepin-5-one

Systemtic Name: 6-ethyl-9-methylsulfanyl-2,4-bis(oxidanyl)-6H-benzo[b][1]benzothiepin-5-one Openeye Name: 6-ethyl-2,4-dihydroxy-9-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one CAS Name: 6-ethyl-2,4-dihydroxy-9-(methylthio)-6H-benzo[b][1]benzothiepin-5-one IUPAC Name: 6-ethyl-2,4-dihydroxy-9-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one Traditional Name: 6-ethyl-2,4-dihydroxy-9-(methylthio)-6H-benzo[b][1]benzothiepin-5-one Formula: C17H16O3S2 MolecularWeight: 332.43714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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