tert-butyl N-[(1S)-2-cyclopentylsulfanyl-1-phenyl-ethyl]carbamate; cyclopentane; iron(2+)

Systemtic Name: tert-butyl N-[(1S)-2-cyclopentylsulfanyl-1-phenyl-ethyl]carbamate; cyclopentane; iron(2+) Openeye Name: ferrous; tert-butyl N-[(1S)-2-cyclopentylsulfanyl-1-phenyl-ethyl]carbamate; cyclopentane CAS Name: cyclopentane; N-[(1S)-2-(cyclopentylthio)-1-phenylethyl]carbamic acid tert-butyl ester; iron(2+) IUPAC Name: tert-butyl N-[(1S)-2-cyclopentylsulfanyl-1-phenylethyl]carbamate; cyclopentane; iron(2+) Traditional Name: ferrous; cyclopentane; N-[(1S)-2-(cyclopentylthio)-1-phenyl-ethyl]carbamic acid tert-butyl ester Formula: C23H27FeNO2S+2 MolecularWeight: 437.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CS[C]1[CH][CH][CH][CH]1)C2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CS[C]1[CH][CH][CH][CH]1)C2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C18H22NO2S.C5H5.Fe/c1-18(2,3)21-17(20)19-16(14-9-5-4-6-10-14)13-22-15-11-7-8-12-15;1-2-4-5-3-1;/h4-12,16H,13H2,1-3H3,(H,19,20);1-5H;/q;;+2/t16-;;/m1../s1