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

Systemtic Name: 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-(methylamino)cyclohex-2-en-1-one Openeye Name: 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-(methylamino)cyclohex-2-en-1-one CAS Name: 5-[2-(ethylthio)propyl]-3-(methylamino)-2-(1-oxobutyl)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-(methylamino)cyclohex-2-en-1-one Traditional Name: 2-butyryl-5-[2-(ethylthio)propyl]-3-(methylamino)cyclohex-2-en-1-one Formula: C16H27NO2S MolecularWeight: 297.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(CC1=O)CC(C)SCC)NC

Isomeric SMILES

CCCC(=O)C1=C(CC(CC1=O)CC(C)SCC)NC

InChI

InChI=1S/C16H27NO2S/c1-5-7-14(18)16-13(17-4)9-12(10-15(16)19)8-11(3)20-6-2/h11-12,17H,5-10H2,1-4H3