2-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)sulfanylethanoate

Systemtic Name: 2-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)sulfanylethanoate Openeye Name: 2-[(6-bromo-2-methyl-4-phenyl-3-quinolyl)sulfanyl]acetate CAS Name: 2-[(6-bromo-2-methyl-4-phenyl-3-quinolinyl)thio]acetate IUPAC Name: 2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)sulfanylacetate Traditional Name: 2-[(6-bromo-2-methyl-4-phenyl-3-quinolyl)thio]acetate Formula: C18H13BrNO2S- MolecularWeight: 387.27032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)SCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)SCC(=O)[O-]

InChI

InChI=1S/C18H14BrNO2S/c1-11-18(23-10-16(21)22)17(12-5-3-2-4-6-12)14-9-13(19)7-8-15(14)20-11/h2-9H,10H2,1H3,(H,21,22)/p-1