(3,4,5-trimethoxyphenyl)methyl 5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: (3,4,5-trimethoxyphenyl)methyl 5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylate Openeye Name: (3,4,5-trimethoxyphenyl)methyl 5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-chlorophenyl)thio]methyl]-2-furancarboxylic acid (3,4,5-trimethoxyphenyl)methyl ester IUPAC Name: (3,4,5-trimethoxyphenyl)methyl 5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-chlorophenyl)thio]methyl]furan-2-carboxylic acid (3,4,5-trimethoxybenzyl) ester Formula: C22H21ClO6S MolecularWeight: 448.91654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)COC(=O)C2=CC=C(O2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)COC(=O)C2=CC=C(O2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClO6S/c1-25-19-10-14(11-20(26-2)21(19)27-3)12-28-22(24)18-9-6-16(29-18)13-30-17-7-4-15(23)5-8-17/h4-11H,12-13H2,1-3H3