5-[(2S)-2-ethylsulfanylpropyl]-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione

Systemtic Name: 5-[(2S)-2-ethylsulfanylpropyl]-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione Openeye Name: 5-[(2S)-2-ethylsulfanylpropyl]-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione CAS Name: 5-[(2S)-2-(ethylthio)propyl]-2-[1-(1-pyrrolidinyl)butylidene]cyclohexane-1,3-dione IUPAC Name: 5-[(2S)-2-ethylsulfanylpropyl]-2-(1-pyrrolidin-1-ylbutylidene)cyclohexane-1,3-dione Traditional Name: 5-[(2S)-2-(ethylthio)propyl]-2-(1-pyrrolidinobutylidene)cyclohexane-1,3-quinone Formula: C19H31NO2S MolecularWeight: 337.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)CC(C)SCC)N2CCCC2

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C[C@H](C)SCC)N2CCCC2

InChI

InChI=1S/C19H31NO2S/c1-4-8-16(20-9-6-7-10-20)19-17(21)12-15(13-18(19)22)11-14(3)23-5-2/h14-15H,4-13H2,1-3H3/t14-,15?/m0/s1