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

Systemtic Name: (2S)-2-benzamido-3-(6-fluoranyl-2-methyl-quinolin-4-yl)sulfanyl-propanoate Openeye Name: (2S)-2-benzamido-3-[(6-fluoro-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: (2S)-2-benzamido-3-[(6-fluoro-2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: (2S)-2-benzamido-3-(6-fluoro-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: (2S)-2-benzamido-3-[(6-fluoro-2-methyl-4-quinolyl)thio]propionate Formula: C20H16FN2O3S- MolecularWeight: 383.416043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)F)C(=C1)SCC(C(=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)F)C(=C1)SC[C@H](C(=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17FN2O3S/c1-12-9-18(15-10-14(21)7-8-16(15)22-12)27-11-17(20(25)26)23-19(24)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,23,24)(H,25,26)/p-1/t17-/m1/s1