ethyl 3-[[5-[(4-chlorophenyl)sulfanylmethyl]furan-2-yl]carbonyl-methylsulfonyl-amino]benzoate

Systemtic Name: ethyl 3-[[5-[(4-chlorophenyl)sulfanylmethyl]furan-2-yl]carbonyl-methylsulfonyl-amino]benzoate Openeye Name: ethyl 3-[[5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carbonyl]-methylsulfonyl-amino]benzoate CAS Name: 3-[[[5-[[(4-chlorophenyl)thio]methyl]-2-furanyl]-oxomethyl]-methylsulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carbonyl]-methylsulfonylamino]benzoate Traditional Name: 3-[[5-[[(4-chlorophenyl)thio]methyl]-2-furoyl]-mesyl-amino]benzoic acid ethyl ester Formula: C22H20ClNO6S2 MolecularWeight: 493.9803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC=C(O2)CSC3=CC=C(C=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC=C(O2)CSC3=CC=C(C=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C22H20ClNO6S2/c1-3-29-22(26)15-5-4-6-17(13-15)24(32(2,27)28)21(25)20-12-9-18(30-20)14-31-19-10-7-16(23)8-11-19/h4-13H,3,14H2,1-2H3