5-(2-ethylsulfanylpropyl)-2-[1-(prop-2-enylamino)butylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(2-ethylsulfanylpropyl)-2-[1-(prop-2-enylamino)butylidene]cyclohexane-1,3-dione Openeye Name: 2-[1-(allylamino)butylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione CAS Name: 5-[2-(ethylthio)propyl]-2-[1-(prop-2-enylamino)butylidene]cyclohexane-1,3-dione IUPAC Name: 5-(2-ethylsulfanylpropyl)-2-[1-(prop-2-enylamino)butylidene]cyclohexane-1,3-dione Traditional Name: 2-[1-(allylamino)butylidene]-5-[2-(ethylthio)propyl]cyclohexane-1,3-quinone Formula: C18H29NO2S MolecularWeight: 323.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)CC(C)SCC)NCC=C

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)CC(C)SCC)NCC=C

InChI

InChI=1S/C18H29NO2S/c1-5-8-15(19-9-6-2)18-16(20)11-14(12-17(18)21)10-13(4)22-7-3/h6,13-14,19H,2,5,7-12H2,1,3-4H3