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

Systemtic Name: 2-azanyl-3-(6-methoxy-4-methyl-quinolin-2-yl)sulfanyl-propanoate; iron(2+) Openeye Name: ferrous 2-amino-3-[(6-methoxy-4-methyl-2-quinolyl)sulfanyl]propanoate CAS Name: 2-amino-3-[(6-methoxy-4-methyl-2-quinolinyl)thio]propanoate; iron(2+) IUPAC Name: 2-amino-3-(6-methoxy-4-methylquinolin-2-yl)sulfanylpropanoate; iron(2+) Traditional Name: ferrous 2-amino-3-[(6-methoxy-4-methyl-2-quinolyl)thio]propionate Formula: C28H30FeN4O6S2 MolecularWeight: 638.536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)OC)SCC(C(=O)[O-])N.CC1=CC(=NC2=C1C=C(C=C2)OC)SCC(C(=O)[O-])N.[Fe+2]

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)OC)SCC(C(=O)[O-])N.CC1=CC(=NC2=C1C=C(C=C2)OC)SCC(C(=O)[O-])N.[Fe+2]

InChI

InChI=1S/2C14H16N2O3S.Fe/c2*1-8-5-13(20-7-11(15)14(17)18)16-12-4-3-9(19-2)6-10(8)12;/h2*3-6,11H,7,15H2,1-2H3,(H,17,18);/q;;+2/p-2