cyclopentane; 2-ethoxyethyl (E)-2-cyano-3-(cyclopentylmethylamino)-3-methylsulfanyl-prop-2-enoate; iron(2+)

Systemtic Name: cyclopentane; 2-ethoxyethyl (E)-2-cyano-3-(cyclopentylmethylamino)-3-methylsulfanyl-prop-2-enoate; iron(2+) Openeye Name: ferrous; cyclopentane; 2-ethoxyethyl (E)-2-cyano-3-(cyclopentylmethylamino)-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-(cyclopentylmethylamino)-3-(methylthio)-2-propenoic acid 2-ethoxyethyl ester; cyclopentane; iron(2+) IUPAC Name: cyclopentane; 2-ethoxyethyl (E)-2-cyano-3-(cyclopentylmethylamino)-3-methylsulfanylprop-2-enoate; iron(2+) Traditional Name: ferrous; (E)-2-cyano-3-(cyclopentylmethylamino)-3-(methylthio)acrylic acid 2-ethoxyethyl ester; cyclopentane Formula: C20H24FeN2O3S+2 MolecularWeight: 428.32616

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C(=C(NC[C]1[CH][CH][CH][CH]1)SC)C#N.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCOCCOC(=O)/C(=C(\NC[C]1[CH][CH][CH][CH]1)/SC)/C#N.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C15H19N2O3S.C5H5.Fe/c1-3-19-8-9-20-15(18)13(10-16)14(21-2)17-11-12-6-4-5-7-12;1-2-4-5-3-1;/h4-7,17H,3,8-9,11H2,1-2H3;1-5H;/q;;+2/b14-13+;;