5-(2-methylsulfanylethyl)-2-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(2-methylsulfanylethyl)-2-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1,3-dione Openeye Name: 2-[1-(allyloxyamino)butylidene]-5-(2-methylsulfanylethyl)cyclohexane-1,3-dione CAS Name: 5-[2-(methylthio)ethyl]-2-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1,3-dione IUPAC Name: 5-(2-methylsulfanylethyl)-2-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1,3-dione Traditional Name: 2-[1-(allyloxyamino)butylidene]-5-[2-(methylthio)ethyl]cyclohexane-1,3-quinone Formula: C16H25NO3S MolecularWeight: 311.4396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)CCSC)NOCC=C

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)CCSC)NOCC=C

InChI

InChI=1S/C16H25NO3S/c1-4-6-13(17-20-8-5-2)16-14(18)10-12(7-9-21-3)11-15(16)19/h5,12,17H,2,4,6-11H2,1,3H3