2-azanyl-3-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanyl-propanoate; iron(2+)

Systemtic Name: 2-azanyl-3-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanyl-propanoate; iron(2+) Openeye Name: ferrous 2-amino-3-[(6-bromo-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: 2-amino-3-[(6-bromo-2-methyl-4-quinolinyl)thio]propanoate; iron(2+) IUPAC Name: 2-amino-3-(6-bromo-2-methylquinolin-4-yl)sulfanylpropanoate; iron(2+) Traditional Name: ferrous 2-amino-3-[(6-bromo-2-methyl-4-quinolyl)thio]propionate Formula: C26H24Br2FeN4O4S2 MolecularWeight: 736.27616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(C(=O)[O-])N.CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(C(=O)[O-])N.[Fe+2]

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(C(=O)[O-])N.CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(C(=O)[O-])N.[Fe+2]

InChI

InChI=1S/2C13H13BrN2O2S.Fe/c2*1-7-4-12(19-6-10(15)13(17)18)9-5-8(14)2-3-11(9)16-7;/h2*2-5,10H,6,15H2,1H3,(H,17,18);/q;;+2/p-2