2-methyl-11-(thian-4-yl)-6H-benzo[c][1]benzothiepin-11-ol

Systemtic Name: 2-methyl-11-(thian-4-yl)-6H-benzo[c][1]benzothiepin-11-ol Openeye Name: 2-methyl-11-tetrahydrothiopyran-4-yl-6H-benzo[c][1]benzothiepin-11-ol CAS Name: 2-methyl-11-(4-thianyl)-6H-benzo[c][1]benzothiepin-11-ol IUPAC Name: 2-methyl-11-(thian-4-yl)-6H-benzo[c][1]benzothiepin-11-ol Traditional Name: 2-methyl-11-tetrahydrothiopyran-4-yl-6H-benzo[c][1]benzothiepin-11-ol Formula: C20H22OS2 MolecularWeight: 342.51808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCC3=CC=CC=C3C2(C4CCSCC4)O

Isomeric SMILES

CC1=CC2=C(C=C1)SCC3=CC=CC=C3C2(C4CCSCC4)O

InChI

InChI=1S/C20H22OS2/c1-14-6-7-19-18(12-14)20(21,16-8-10-22-11-9-16)17-5-3-2-4-15(17)13-23-19/h2-7,12,16,21H,8-11,13H2,1H3