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

Systemtic Name: methyl 2-[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: methyl 2-[2-[3-(furan-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 2-[[2-[[3-[[2-furanyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-(furan-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 2-[2-[[3-(2-furoylamino)phenyl]thio]butanoylamino]benzoic acid methyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C23H22N2O5S/c1-3-20(22(27)25-18-11-5-4-10-17(18)23(28)29-2)31-16-9-6-8-15(14-16)24-21(26)19-12-7-13-30-19/h4-14,20H,3H2,1-2H3,(H,24,26)(H,25,27)