cyclopentane; 1-cyclopentyl-2-(2-sulfanylidene-1,4-dihydro-3,1-benzothiazin-4-yl)ethanone; iron(2+)

Systemtic Name: cyclopentane; 1-cyclopentyl-2-(2-sulfanylidene-1,4-dihydro-3,1-benzothiazin-4-yl)ethanone; iron(2+) Openeye Name: ferrous; cyclopentane; 1-cyclopentyl-2-(2-thioxo-1,4-dihydro-3,1-benzothiazin-4-yl)ethanone CAS Name: cyclopentane; 1-cyclopentyl-2-(2-sulfanylidene-1,4-dihydro-3,1-benzothiazin-4-yl)ethanone; iron(2+) IUPAC Name: cyclopentane; 1-cyclopentyl-2-(2-sulfanylidene-1,4-dihydro-3,1-benzothiazin-4-yl)ethanone; iron(2+) Traditional Name: ferrous; cyclopentane; 1-cyclopentyl-2-(2-thioxo-1,4-dihydro-3,1-benzothiazin-4-yl)ethanone Formula: C20H17FeNOS2+2 MolecularWeight: 407.33008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(SC(=S)N2)CC(=O)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(SC(=S)N2)CC(=O)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C15H12NOS2.C5H5.Fe/c17-13(10-5-1-2-6-10)9-14-11-7-3-4-8-12(11)16-15(18)19-14;1-2-4-5-3-1;/h1-8,14H,9H2,(H,16,18);1-5H;/q;;+2