2-acetamido-3-(5,8-dimethoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-(5,8-dimethoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[(5,8-dimethoxy-2-methyl-4-quinolyl)sulfanyl]propanoic acid CAS Name: 2-acetamido-3-[(5,8-dimethoxy-2-methyl-4-quinolinyl)thio]propanoic acid IUPAC Name: 2-acetamido-3-(5,8-dimethoxy-2-methylquinolin-4-yl)sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[(5,8-dimethoxy-2-methyl-4-quinolyl)thio]propionic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2C(=C1)SCC(C(=O)O)NC(=O)C)OC)OC

Isomeric SMILES

CC1=NC2=C(C=CC(=C2C(=C1)SCC(C(=O)O)NC(=O)C)OC)OC

InChI

InChI=1S/C17H20N2O5S/c1-9-7-14(25-8-11(17(21)22)19-10(2)20)15-12(23-3)5-6-13(24-4)16(15)18-9/h5-7,11H,8H2,1-4H3,(H,19,20)(H,21,22)