ethyl 2-(6-bromanyl-2,4-diphenyl-quinolin-3-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(6-bromanyl-2,4-diphenyl-quinolin-3-yl)sulfanylethanoate Openeye Name: ethyl 2-[(6-bromo-2,4-diphenyl-3-quinolyl)sulfanyl]acetate CAS Name: 2-[(6-bromo-2,4-diphenyl-3-quinolinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-bromo-2,4-diphenylquinolin-3-yl)sulfanylacetate Traditional Name: 2-[(6-bromo-2,4-diphenyl-3-quinolyl)thio]acetic acid ethyl ester Formula: C25H20BrNO2S MolecularWeight: 478.4008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C25H20BrNO2S/c1-2-29-22(28)16-30-25-23(17-9-5-3-6-10-17)20-15-19(26)13-14-21(20)27-24(25)18-11-7-4-8-12-18/h3-15H,2,16H2,1H3