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

Systemtic Name: sodium 2-acetamido-3-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanyl-propanoate Openeye Name: sodium 2-acetamido-3-[(6-bromo-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: sodium 2-acetamido-3-[(6-bromo-2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: sodium 2-acetamido-3-(6-bromo-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: sodium 2-acetamido-3-[(6-bromo-2-methyl-4-quinolyl)thio]propionate Formula: C15H14BrN2NaO3S MolecularWeight: 405.24203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN2O3S.Na/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