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

Systemtic Name: 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-yl-cyclohex-2-en-1-one Openeye Name: 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-yl-cyclohex-2-en-1-one CAS Name: 5-[2-(ethylthio)propyl]-2-(1-oxobutyl)-3-(1-pyrrolidinyl)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-one Traditional Name: 2-butyryl-5-[2-(ethylthio)propyl]-3-pyrrolidino-cyclohex-2-en-1-one Formula: C19H31NO2S MolecularWeight: 337.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(CC1=O)CC(C)SCC)N2CCCC2

Isomeric SMILES

CCCC(=O)C1=C(CC(CC1=O)CC(C)SCC)N2CCCC2

InChI

InChI=1S/C19H31NO2S/c1-4-8-17(21)19-16(20-9-6-7-10-20)12-15(13-18(19)22)11-14(3)23-5-2/h14-15H,4-13H2,1-3H3