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

Systemtic Name: (5E)-1-(azepan-1-ylcarbonyl)-6,6-dimethyl-3-methylsulfanyl-5-(oxidanylmethylidene)-7H-2-benzothiophen-4-one Openeye Name: (5E)-1-(azepane-1-carbonyl)-5-(hydroxymethylene)-6,6-dimethyl-3-methylsulfanyl-7H-2-benzothiophen-4-one CAS Name: (5E)-1-[1-azepanyl(oxo)methyl]-5-(hydroxymethylidene)-6,6-dimethyl-3-(methylthio)-7H-2-benzothiophen-4-one IUPAC Name: (5E)-1-(azepane-1-carbonyl)-5-(hydroxymethylidene)-6,6-dimethyl-3-methylsulfanyl-7H-2-benzothiophen-4-one Traditional Name: (5E)-1-(azepane-1-carbonyl)-5-(hydroxymethylene)-6,6-dimethyl-3-(methylthio)-7H-isobenzothiophen-4-one Formula: C19H25NO3S2 MolecularWeight: 379.5367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC\1(CC2=C(SC(=C2C(=O)/C1=C/O)SC)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C19H25NO3S2/c1-19(2)10-12-14(15(22)13(19)11-21)18(24-3)25-16(12)17(23)20-8-6-4-5-7-9-20/h11,21H,4-10H2,1-3H3/b13-11-