2-acetamido-3-(2-methylquinolin-4-yl)sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-(2-methylquinolin-4-yl)sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[(2-methyl-4-quinolyl)sulfanyl]propanoic acid CAS Name: 2-acetamido-3-[(2-methyl-4-quinolinyl)thio]propanoic acid IUPAC Name: 2-acetamido-3-(2-methylquinolin-4-yl)sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[(2-methyl-4-quinolyl)thio]propionic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3S/c1-9-7-14(11-5-3-4-6-12(11)16-9)21-8-13(15(19)20)17-10(2)18/h3-7,13H,8H2,1-2H3,(H,17,18)(H,19,20)