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

Systemtic Name: ethyl 4-[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[2-[3-(furan-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-(2-furoylamino)phenyl]thio]butanoylamino]benzoic acid ethyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C24H24N2O5S/c1-3-21(23(28)25-17-12-10-16(11-13-17)24(29)30-4-2)32-19-8-5-7-18(15-19)26-22(27)20-9-6-14-31-20/h5-15,21H,3-4H2,1-2H3,(H,25,28)(H,26,27)