butyl 4-[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-(furan-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[2-furanyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-(furan-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-(2-furoylamino)phenyl]thio]butanoylamino]benzoic acid butyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C26H28N2O5S/c1-3-5-15-33-26(31)18-11-13-19(14-12-18)27-25(30)23(4-2)34-21-9-6-8-20(17-21)28-24(29)22-10-7-16-32-22/h6-14,16-17,23H,3-5,15H2,1-2H3,(H,27,30)(H,28,29)