(4-propanoylphenyl) 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: (4-propanoylphenyl) 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: (4-propanoylphenyl) 3-[(4-methylthiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-methyl-2-thiazolyl)thio]methyl]-2-benzofurancarboxylic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-methylthiazol-2-yl)thio]methyl]coumarilic acid (4-propionylphenyl) ester Formula: C23H19NO4S2 MolecularWeight: 437.53126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC(=CS4)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC(=CS4)C

InChI

InChI=1S/C23H19NO4S2/c1-3-19(25)15-8-10-16(11-9-15)27-22(26)21-18(13-30-23-24-14(2)12-29-23)17-6-4-5-7-20(17)28-21/h4-12H,3,13H2,1-2H3