(2Z)-2-[1-(ethoxyamino)butylidene]-4-(2-phenylsulfanylpropyl)cyclohexane-1,3-dione

Systemtic Name: (2Z)-2-[1-(ethoxyamino)butylidene]-4-(2-phenylsulfanylpropyl)cyclohexane-1,3-dione Openeye Name: (2Z)-2-[1-(ethoxyamino)butylidene]-4-(2-phenylsulfanylpropyl)cyclohexane-1,3-dione CAS Name: (2Z)-2-[1-(ethoxyamino)butylidene]-4-[2-(phenylthio)propyl]cyclohexane-1,3-dione IUPAC Name: (2Z)-2-[1-(ethoxyamino)butylidene]-4-(2-phenylsulfanylpropyl)cyclohexane-1,3-dione Traditional Name: (2Z)-2-[1-(ethoxyamino)butylidene]-4-[2-(phenylthio)propyl]cyclohexane-1,3-quinone Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CCC(C1=O)CC(C)SC2=CC=CC=C2)NOCC

Isomeric SMILES

CCC/C(=C/1\C(=O)CCC(C1=O)CC(C)SC2=CC=CC=C2)/NOCC

InChI

InChI=1S/C21H29NO3S/c1-4-9-18(22-25-5-2)20-19(23)13-12-16(21(20)24)14-15(3)26-17-10-7-6-8-11-17/h6-8,10-11,15-16,22H,4-5,9,12-14H2,1-3H3/b20-18-