2-[1-(ethoxyamino)propylidene]-5-[3-(5-methylsulfanylpyridin-2-yl)oxyphenyl]cyclohexane-1,3-dione

Systemtic Name: 2-[1-(ethoxyamino)propylidene]-5-[3-(5-methylsulfanylpyridin-2-yl)oxyphenyl]cyclohexane-1,3-dione Openeye Name: 2-[1-(ethoxyamino)propylidene]-5-[3-[(5-methylsulfanyl-2-pyridyl)oxy]phenyl]cyclohexane-1,3-dione CAS Name: 2-[1-(ethoxyamino)propylidene]-5-[3-[[5-(methylthio)-2-pyridinyl]oxy]phenyl]cyclohexane-1,3-dione IUPAC Name: 2-[1-(ethoxyamino)propylidene]-5-[3-(5-methylsulfanylpyridin-2-yl)oxyphenyl]cyclohexane-1,3-dione Traditional Name: 2-[1-(ethoxyamino)propylidene]-5-[3-[[5-(methylthio)-2-pyridyl]oxy]phenyl]cyclohexane-1,3-quinone Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=CC(=CC=C2)OC3=NC=C(C=C3)SC)NOCC

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=CC(=CC=C2)OC3=NC=C(C=C3)SC)NOCC

InChI

InChI=1S/C23H26N2O4S/c1-4-19(25-28-5-2)23-20(26)12-16(13-21(23)27)15-7-6-8-17(11-15)29-22-10-9-18(30-3)14-24-22/h6-11,14,16,25H,4-5,12-13H2,1-3H3