(3E)-3-(hexylsulfanylmethylidene)-1-(2-methylpropyl)azepan-2-one

Systemtic Name: (3E)-3-(hexylsulfanylmethylidene)-1-(2-methylpropyl)azepan-2-one Openeye Name: (3E)-3-(hexylsulfanylmethylene)-1-isobutyl-azepan-2-one CAS Name: (3E)-3-[(hexylthio)methylidene]-1-(2-methylpropyl)-2-azepanone IUPAC Name: (3E)-3-(hexylsulfanylmethylidene)-1-(2-methylpropyl)azepan-2-one Traditional Name: (3E)-3-[(hexylthio)methylene]-1-isobutyl-azepan-2-one Formula: C17H31NOS MolecularWeight: 297.49914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC=C1CCCCN(C1=O)CC(C)C

Isomeric SMILES

CCCCCCS/C=C/1\CCCCN(C1=O)CC(C)C

InChI

InChI=1S/C17H31NOS/c1-4-5-6-9-12-20-14-16-10-7-8-11-18(17(16)19)13-15(2)3/h14-15H,4-13H2,1-3H3/b16-14+