2-[1-(ethoxyamino)propylidene]-5-[4-(5-methylsulfonylpyridin-2-yl)sulfanylphenyl]cyclohexane-1,3-dione

Systemtic Name: 2-[1-(ethoxyamino)propylidene]-5-[4-(5-methylsulfonylpyridin-2-yl)sulfanylphenyl]cyclohexane-1,3-dione Openeye Name: 2-[1-(ethoxyamino)propylidene]-5-[4-[(5-methylsulfonyl-2-pyridyl)sulfanyl]phenyl]cyclohexane-1,3-dione CAS Name: 2-[1-(ethoxyamino)propylidene]-5-[4-[(5-methylsulfonyl-2-pyridinyl)thio]phenyl]cyclohexane-1,3-dione IUPAC Name: 2-[1-(ethoxyamino)propylidene]-5-[4-(5-methylsulfonylpyridin-2-yl)sulfanylphenyl]cyclohexane-1,3-dione Traditional Name: 2-[1-(ethoxyamino)propylidene]-5-[4-[(5-mesyl-2-pyridyl)thio]phenyl]cyclohexane-1,3-quinone Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=CC=C(C=C2)SC3=NC=C(C=C3)S(=O)(=O)C)NOCC

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=CC=C(C=C2)SC3=NC=C(C=C3)S(=O)(=O)C)NOCC

InChI

InChI=1S/C23H26N2O5S2/c1-4-19(25-30-5-2)23-20(26)12-16(13-21(23)27)15-6-8-17(9-7-15)31-22-11-10-18(14-24-22)32(3,28)29/h6-11,14,16,25H,4-5,12-13H2,1-3H3