2-acetamido-3-(6-ethoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoic acid hydrochloride

Systemtic Name: 2-acetamido-3-(6-ethoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoic acid hydrochloride Openeye Name: 2-acetamido-3-[(6-ethoxy-2-methyl-4-quinolyl)sulfanyl]propanoic acid hydrochloride CAS Name: 2-acetamido-3-[(6-ethoxy-2-methyl-4-quinolinyl)thio]propanoic acid hydrochloride IUPAC Name: 2-acetamido-3-(6-ethoxy-2-methylquinolin-4-yl)sulfanylpropanoic acid hydrochloride Traditional Name: 2-acetamido-3-[(6-ethoxy-2-methyl-4-quinolyl)thio]propionic acid hydrochloride Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C=C2SCC(C(=O)O)NC(=O)C)C.Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2SCC(C(=O)O)NC(=O)C)C.Cl

InChI

InChI=1S/C17H20N2O4S.ClH/c1-4-23-12-5-6-14-13(8-12)16(7-10(2)18-14)24-9-15(17(21)22)19-11(3)20;/h5-8,15H,4,9H2,1-3H3,(H,19,20)(H,21,22);1H