2-methyl-8-(thian-4-yl)-6H-benzo[c][1]benzothiepin-11-one

Systemtic Name: 2-methyl-8-(thian-4-yl)-6H-benzo[c][1]benzothiepin-11-one Openeye Name: 2-methyl-8-tetrahydrothiopyran-4-yl-6H-benzo[c][1]benzothiepin-11-one CAS Name: 2-methyl-8-(4-thianyl)-6H-benzo[c][1]benzothiepin-11-one IUPAC Name: 2-methyl-8-(thian-4-yl)-6H-benzo[c][1]benzothiepin-11-one Traditional Name: 2-methyl-8-tetrahydrothiopyran-4-yl-6H-benzo[c][1]benzothiepin-11-one Formula: C20H20OS2 MolecularWeight: 340.5022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCC3=C(C2=O)C=CC(=C3)C4CCSCC4

Isomeric SMILES

CC1=CC2=C(C=C1)SCC3=C(C2=O)C=CC(=C3)C4CCSCC4

InChI

InChI=1S/C20H20OS2/c1-13-2-5-19-18(10-13)20(21)17-4-3-15(11-16(17)12-23-19)14-6-8-22-9-7-14/h2-5,10-11,14H,6-9,12H2,1H3