5-(4,6-dimethyl-3-methylsulfanyl-pyridin-2-yl)-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(4,6-dimethyl-3-methylsulfanyl-pyridin-2-yl)-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione Openeye Name: 5-(4,6-dimethyl-3-methylsulfanyl-2-pyridyl)-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione CAS Name: 5-[4,6-dimethyl-3-(methylthio)-2-pyridinyl]-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione IUPAC Name: 5-(4,6-dimethyl-3-methylsulfanylpyridin-2-yl)-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione Traditional Name: 5-[4,6-dimethyl-3-(methylthio)-2-pyridyl]-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-quinone Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=C(C(=CC(=N2)C)C)SC)NOCC

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=C(C(=CC(=N2)C)C)SC)NOCC

InChI

InChI=1S/C20H28N2O3S/c1-6-8-15(22-25-7-2)18-16(23)10-14(11-17(18)24)19-20(26-5)12(3)9-13(4)21-19/h9,14,22H,6-8,10-11H2,1-5H3