cyclopentane; ethyl 5-cyano-8-cyclopentyl-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate; iron(2+)

Systemtic Name: cyclopentane; ethyl 5-cyano-8-cyclopentyl-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate; iron(2+) Openeye Name: ferrous; cyclopentane; ethyl 5-cyano-8-cyclopentyl-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5-cyano-8-cyclopentyl-6-(methylthio)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester; cyclopentane; iron(2+) IUPAC Name: cyclopentane; ethyl 5-cyano-8-cyclopentyl-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate; iron(2+) Traditional Name: ferrous; 5-cyano-8-cyclopentyl-6-(methylthio)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester; cyclopentane Formula: C24H24FeN2O2S+2 MolecularWeight: 460.36956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)C(=CC(=C2C#N)SC)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)C(=CC(=C2C#N)SC)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C19H19N2O2S.C5H5.Fe/c1-3-23-19(22)21-9-8-14-16(11-20)18(24-2)10-15(17(14)12-21)13-6-4-5-7-13;1-2-4-5-3-1;/h4-7,10H,3,8-9,12H2,1-2H3;1-5H;/q;;+2