methyl 2-azanyl-3-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanyl-propanoate dihydrochloride

Systemtic Name: methyl 2-azanyl-3-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanyl-propanoate dihydrochloride Openeye Name: methyl 2-amino-3-[(6-bromo-2-methyl-4-quinolyl)sulfanyl]propanoate dihydrochloride CAS Name: 2-amino-3-[(6-bromo-2-methyl-4-quinolinyl)thio]propanoic acid methyl ester dihydrochloride IUPAC Name: methyl 2-amino-3-(6-bromo-2-methylquinolin-4-yl)sulfanylpropanoate dihydrochloride Traditional Name: 2-amino-3-[(6-bromo-2-methyl-4-quinolyl)thio]propionic acid methyl ester dihydrochloride Formula: C14H17BrCl2N2O2S MolecularWeight: 428.17198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(C(=O)OC)N.Cl.Cl

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(C(=O)OC)N.Cl.Cl

InChI

InChI=1S/C14H15BrN2O2S.2ClH/c1-8-5-13(20-7-11(16)14(18)19-2)10-6-9(15)3-4-12(10)17-8;;/h3-6,11H,7,16H2,1-2H3;2*1H