5-(4-butylsulfanylphenyl)-2-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(4-butylsulfanylphenyl)-2-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1,3-dione Openeye Name: 2-[1-(allyloxyamino)butylidene]-5-(4-butylsulfanylphenyl)cyclohexane-1,3-dione CAS Name: 5-[4-(butylthio)phenyl]-2-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1,3-dione IUPAC Name: 5-(4-butylsulfanylphenyl)-2-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1,3-dione Traditional Name: 2-[1-(allyloxyamino)butylidene]-5-[4-(butylthio)phenyl]cyclohexane-1,3-quinone Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2CC(=O)C(=C(CCC)NOCC=C)C(=O)C2

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2CC(=O)C(=C(CCC)NOCC=C)C(=O)C2

InChI

InChI=1S/C23H31NO3S/c1-4-7-14-28-19-11-9-17(10-12-19)18-15-21(25)23(22(26)16-18)20(8-5-2)24-27-13-6-3/h6,9-12,18,24H,3-5,7-8,13-16H2,1-2H3