2-[1-(ethoxyamino)butylidene]-5-(2-phenylsulfanylpropyl)cyclohexane-1,3-dione

Systemtic Name: 2-[1-(ethoxyamino)butylidene]-5-(2-phenylsulfanylpropyl)cyclohexane-1,3-dione Openeye Name: 2-[1-(ethoxyamino)butylidene]-5-(2-phenylsulfanylpropyl)cyclohexane-1,3-dione CAS Name: 2-[1-(ethoxyamino)butylidene]-5-[2-(phenylthio)propyl]cyclohexane-1,3-dione IUPAC Name: 2-[1-(ethoxyamino)butylidene]-5-(2-phenylsulfanylpropyl)cyclohexane-1,3-dione Traditional Name: 2-[1-(ethoxyamino)butylidene]-5-[2-(phenylthio)propyl]cyclohexane-1,3-quinone Formula: C21H29NO3S MolecularWeight: 375.52486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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