2-butanoyl-5-(2-ethylsulfanylpropyl)-3-(heptylamino)cyclohex-2-en-1-one

Systemtic Name: 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-(heptylamino)cyclohex-2-en-1-one Openeye Name: 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-(heptylamino)cyclohex-2-en-1-one CAS Name: 5-[2-(ethylthio)propyl]-3-(heptylamino)-2-(1-oxobutyl)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-(heptylamino)cyclohex-2-en-1-one Traditional Name: 2-butyryl-5-[2-(ethylthio)propyl]-3-(heptylamino)cyclohex-2-en-1-one Formula: C22H39NO2S MolecularWeight: 381.61556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=C(C(=O)CC(C1)CC(C)SCC)C(=O)CCC

Isomeric SMILES

CCCCCCCNC1=C(C(=O)CC(C1)CC(C)SCC)C(=O)CCC

InChI

InChI=1S/C22H39NO2S/c1-5-8-9-10-11-13-23-19-15-18(14-17(4)26-7-3)16-21(25)22(19)20(24)12-6-2/h17-18,23H,5-16H2,1-4H3