(4-propan-2-ylphenyl)methyl 5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: (4-propan-2-ylphenyl)methyl 5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylate Openeye Name: (4-isopropylphenyl)methyl 5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-chlorophenyl)thio]methyl]-2-furancarboxylic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-chlorophenyl)thio]methyl]furan-2-carboxylic acid (4-isopropylbenzyl) ester Formula: C22H21ClO3S MolecularWeight: 400.91834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)C2=CC=C(O2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)C2=CC=C(O2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClO3S/c1-15(2)17-5-3-16(4-6-17)13-25-22(24)21-12-9-19(26-21)14-27-20-10-7-18(23)8-11-20/h3-12,15H,13-14H2,1-2H3