4-[azepan-1-yl(sulfanyl)methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[azepan-1-yl(sulfanyl)methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[azepan-1-yl(sulfanyl)methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[1-azepanyl(mercapto)methylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[azepan-1-yl(sulfanyl)methylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[azepan-1-yl(mercapto)methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(N2CCCCCC2)S)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=C(N2CCCCCC2)S)C=C(C1=O)OC

InChI

InChI=1S/C15H21NO3S/c1-18-12-9-11(10-13(19-2)14(12)17)15(20)16-7-5-3-4-6-8-16/h9-10,20H,3-8H2,1-2H3