methyl 4-[2-(furan-2-ylmethylsulfanyl)ethylsulfamoylmethyl]benzoate

Systemtic Name: methyl 4-[2-(furan-2-ylmethylsulfanyl)ethylsulfamoylmethyl]benzoate Openeye Name: methyl 4-[2-(2-furylmethylsulfanyl)ethylsulfamoylmethyl]benzoate CAS Name: 4-[2-(2-furanylmethylthio)ethylsulfamoylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(furan-2-ylmethylsulfanyl)ethylsulfamoylmethyl]benzoate Traditional Name: 4-[2-(2-furfurylthio)ethylsulfamoylmethyl]benzoic acid methyl ester Formula: C16H19NO5S2 MolecularWeight: 369.45576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)NCCSCC2=CC=CO2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)NCCSCC2=CC=CO2

InChI

InChI=1S/C16H19NO5S2/c1-21-16(18)14-6-4-13(5-7-14)12-24(19,20)17-8-10-23-11-15-3-2-9-22-15/h2-7,9,17H,8,10-12H2,1H3