ethyl 5-bromanyl-3-[(4-methylquinolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(4-methylquinolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(4-methyl-2-quinolyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(4-methyl-2-quinolinyl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(4-methylquinolin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(4-methyl-2-quinolyl)thio]methyl]coumarilic acid ethyl ester Formula: C22H18BrNO3S MolecularWeight: 456.35222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C22H18BrNO3S/c1-3-26-22(25)21-17(16-11-14(23)8-9-19(16)27-21)12-28-20-10-13(2)15-6-4-5-7-18(15)24-20/h4-11H,3,12H2,1-2H3