tert-butyl N-[(2S)-1-cyclopentylsulfanyl-3,3-dimethyl-butan-2-yl]carbamate; cyclopentane; iron(2+)

Systemtic Name: tert-butyl N-[(2S)-1-cyclopentylsulfanyl-3,3-dimethyl-butan-2-yl]carbamate; cyclopentane; iron(2+) Openeye Name: ferrous; tert-butyl N-[(1S)-1-(cyclopentylsulfanylmethyl)-2,2-dimethyl-propyl]carbamate; cyclopentane CAS Name: cyclopentane; N-[(2S)-1-(cyclopentylthio)-3,3-dimethylbutan-2-yl]carbamic acid tert-butyl ester; iron(2+) IUPAC Name: tert-butyl N-[(2S)-1-cyclopentylsulfanyl-3,3-dimethylbutan-2-yl]carbamate; cyclopentane; iron(2+) Traditional Name: ferrous; cyclopentane; N-[(1S)-1-[(cyclopentylthio)methyl]-2,2-dimethyl-propyl]carbamic acid tert-butyl ester Formula: C21H31FeNO2S+2 MolecularWeight: 417.38634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CS[C]1[CH][CH][CH][CH]1)NC(=O)OC(C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC(C)(C)[C@@H](CS[C]1[CH][CH][CH][CH]1)NC(=O)OC(C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C16H26NO2S.C5H5.Fe/c1-15(2,3)13(11-20-12-9-7-8-10-12)17-14(18)19-16(4,5)6;1-2-4-5-3-1;/h7-10,13H,11H2,1-6H3,(H,17,18);1-5H;/q;;+2/t13-;;/m1../s1