1-(azepan-1-ylcarbonyl)-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 1-(azepan-1-ylcarbonyl)-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 1-(azepane-1-carbonyl)-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 1-[1-azepanyl(oxo)methyl]-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 1-(azepane-1-carbonyl)-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 1-(azepane-1-carbonyl)-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-4-one Formula: C18H25NO2S2 MolecularWeight: 351.5266

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C18H25NO2S2/c1-18(2)10-12-14(13(20)11-18)17(22-3)23-15(12)16(21)19-8-6-4-5-7-9-19/h4-11H2,1-3H3