methyl (2S)-2-acetamido-3-(6-fluoranyl-2-methyl-quinolin-4-yl)sulfanyl-propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-(6-fluoranyl-2-methyl-quinolin-4-yl)sulfanyl-propanoate Openeye Name: methyl (2S)-2-acetamido-3-[(6-fluoro-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: (2S)-2-acetamido-3-[(6-fluoro-2-methyl-4-quinolinyl)thio]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-(6-fluoro-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: (2S)-2-acetamido-3-[(6-fluoro-2-methyl-4-quinolyl)thio]propionic acid methyl ester Formula: C16H17FN2O3S MolecularWeight: 336.381183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)F)C(=C1)SCC(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)F)C(=C1)SC[C@H](C(=O)OC)NC(=O)C

InChI

InChI=1S/C16H17FN2O3S/c1-9-6-15(12-7-11(17)4-5-13(12)18-9)23-8-14(16(21)22-3)19-10(2)20/h4-7,14H,8H2,1-3H3,(H,19,20)/t14-/m1/s1