lithium 2-acetamido-3-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanyl-propanoate

Systemtic Name: lithium 2-acetamido-3-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanyl-propanoate Openeye Name: lithium 2-acetamido-3-[(6-bromo-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: lithium 2-acetamido-3-[(6-bromo-2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: lithium 2-acetamido-3-(6-bromo-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: lithium 2-acetamido-3-[(6-bromo-2-methyl-4-quinolyl)thio]propionate Formula: C15H14BrLiN2O3S MolecularWeight: 389.19326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(C(=O)[O-])NC(=O)C

Isomeric SMILES

[Li+].CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(C(=O)[O-])NC(=O)C

InChI

InChI=1S/C15H15BrN2O3S.Li/c1-8-5-14(11-6-10(16)3-4-12(11)17-8)22-7-13(15(20)21)18-9(2)19;/h3-6,13H,7H2,1-2H3,(H,18,19)(H,20,21);/q;+1/p-1