2-[1-(ethoxyamino)butylidene]-5-(2-phenyl-1-sulfanyl-propyl)cyclohexane-1,3-dione

Systemtic Name: 2-[1-(ethoxyamino)butylidene]-5-(2-phenyl-1-sulfanyl-propyl)cyclohexane-1,3-dione Openeye Name: 2-[1-(ethoxyamino)butylidene]-5-(2-phenyl-1-sulfanyl-propyl)cyclohexane-1,3-dione CAS Name: 2-[1-(ethoxyamino)butylidene]-5-(1-mercapto-2-phenylpropyl)cyclohexane-1,3-dione IUPAC Name: 2-[1-(ethoxyamino)butylidene]-5-(2-phenyl-1-sulfanylpropyl)cyclohexane-1,3-dione Traditional Name: 2-[1-(ethoxyamino)butylidene]-5-(1-mercapto-2-phenyl-propyl)cyclohexane-1,3-quinone Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C(C(C)C2=CC=CC=C2)S)NOCC

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C(C(C)C2=CC=CC=C2)S)NOCC

InChI

InChI=1S/C21H29NO3S/c1-4-9-17(22-25-5-2)20-18(23)12-16(13-19(20)24)21(26)14(3)15-10-7-6-8-11-15/h6-8,10-11,14,16,21-22,26H,4-5,9,12-13H2,1-3H3