(2R)-2-benzamido-3-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanyl-propanoic acid

Systemtic Name: (2R)-2-benzamido-3-(6-bromanyl-2-methyl-quinolin-4-yl)sulfanyl-propanoic acid Openeye Name: (2R)-2-benzamido-3-[(6-bromo-2-methyl-4-quinolyl)sulfanyl]propanoic acid CAS Name: (2R)-2-benzamido-3-[(6-bromo-2-methyl-4-quinolinyl)thio]propanoic acid IUPAC Name: (2R)-2-benzamido-3-(6-bromo-2-methylquinolin-4-yl)sulfanylpropanoic acid Traditional Name: (2R)-2-benzamido-3-[(6-bromo-2-methyl-4-quinolyl)thio]propionic acid Formula: C20H17BrN2O3S MolecularWeight: 445.32958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Br)C(=C1)SCC(C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O3S/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)/t17-/m0/s1