(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-[(4-methylthiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-methyl-2-thiazolyl)thio]methyl]-2-benzofurancarboxylic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-methylthiazol-2-yl)thio]methyl]coumarilic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C23H17BrN2O4S2 MolecularWeight: 529.42608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC(=CS4)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC(=CS4)C

InChI

InChI=1S/C23H17BrN2O4S2/c1-3-28-19-9-14(10-25)8-17(24)21(19)30-22(27)20-16(12-32-23-26-13(2)11-31-23)15-6-4-5-7-18(15)29-20/h4-9,11H,3,12H2,1-2H3