(4-propanoylphenyl) 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: (4-propanoylphenyl) 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: (4-propanoylphenyl) 3-[(4-chlorophenyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-2-benzofurancarboxylic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]coumarilic acid (4-propionylphenyl) ester Formula: C25H19ClO4S MolecularWeight: 450.93396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H19ClO4S/c1-2-22(27)16-7-11-18(12-8-16)29-25(28)24-21(20-5-3-4-6-23(20)30-24)15-31-19-13-9-17(26)10-14-19/h3-14H,2,15H2,1H3