butyl 2-[2-(2-thiophen-2-ylcarbonylsulfanylpropanoylamino)ethanoyloxy]benzoate

Systemtic Name: butyl 2-[2-(2-thiophen-2-ylcarbonylsulfanylpropanoylamino)ethanoyloxy]benzoate Openeye Name: butyl 2-[2-[2-(thiophene-2-carbonylsulfanyl)propanoylamino]acetyl]oxybenzoate CAS Name: 2-[1-oxo-2-[[1-oxo-2-[[oxo(thiophen-2-yl)methyl]thio]propyl]amino]ethoxy]benzoic acid butyl ester IUPAC Name: butyl 2-[2-[2-(thiophene-2-carbonylsulfanyl)propanoylamino]acetyl]oxybenzoate Traditional Name: 2-[2-[2-(2-thenoylthio)propanoylamino]acetyl]oxybenzoic acid butyl ester Formula: C21H23NO6S2 MolecularWeight: 449.54042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1OC(=O)CNC(=O)C(C)SC(=O)C2=CC=CS2

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1OC(=O)CNC(=O)C(C)SC(=O)C2=CC=CS2

InChI

InChI=1S/C21H23NO6S2/c1-3-4-11-27-20(25)15-8-5-6-9-16(15)28-18(23)13-22-19(24)14(2)30-21(26)17-10-7-12-29-17/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,22,24)