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

Systemtic Name: 2-[1-(ethoxyamino)propylidene]-5-[2-(4-methylphenyl)sulfanylpropan-2-yl]cyclohexane-1,3-dione Openeye Name: 2-[1-(ethoxyamino)propylidene]-5-[1-methyl-1-(p-tolylsulfanyl)ethyl]cyclohexane-1,3-dione CAS Name: 2-[1-(ethoxyamino)propylidene]-5-[2-[(4-methylphenyl)thio]propan-2-yl]cyclohexane-1,3-dione IUPAC Name: 2-[1-(ethoxyamino)propylidene]-5-[2-(4-methylphenyl)sulfanylpropan-2-yl]cyclohexane-1,3-dione Traditional Name: 2-[1-(ethoxyamino)propylidene]-5-[1-methyl-1-(p-tolylthio)ethyl]cyclohexane-1,3-quinone Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C(C)(C)SC2=CC=C(C=C2)C)NOCC

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C(C)(C)SC2=CC=C(C=C2)C)NOCC

InChI

InChI=1S/C21H29NO3S/c1-6-17(22-25-7-2)20-18(23)12-15(13-19(20)24)21(4,5)26-16-10-8-14(3)9-11-16/h8-11,15,22H,6-7,12-13H2,1-5H3