cyclopentane; (3-cyclopentyl-6-methoxy-1-benzothiophen-2-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone; iron(2+)

Systemtic Name: cyclopentane; (3-cyclopentyl-6-methoxy-1-benzothiophen-2-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone; iron(2+) Openeye Name: ferrous; cyclopentane; (3-cyclopentyl-6-methoxy-benzothiophen-2-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone CAS Name: cyclopentane; (3-cyclopentyl-6-methoxy-1-benzothiophen-2-yl)-[4-(1-pyrrolidinylmethyl)phenyl]methanone; iron(2+) IUPAC Name: cyclopentane; (3-cyclopentyl-6-methoxy-1-benzothiophen-2-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone; iron(2+) Traditional Name: ferrous; cyclopentane; (3-cyclopentyl-6-methoxy-benzothiophen-2-yl)-[4-(pyrrolidinomethyl)phenyl]methanone Formula: C31H29FeNO2S+2 MolecularWeight: 535.47746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)C3=CC=C(C=C3)CN4CCCC4)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)C3=CC=C(C=C3)CN4CCCC4)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C26H24NO2S.C5H5.Fe/c1-29-21-12-13-22-23(16-21)30-26(24(22)19-6-2-3-7-19)25(28)20-10-8-18(9-11-20)17-27-14-4-5-15-27;1-2-4-5-3-1;/h2-3,6-13,16H,4-5,14-15,17H2,1H3;1-5H;/q;;+2