methyl 2-[2-[4-(furan-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-(furan-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[4-(furan-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[2-[[4-[[2-furanyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-(furan-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[4-(2-furoylamino)phenyl]thio]propanoylamino]benzoic acid methyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5S/c1-14(20(25)24-18-7-4-3-6-17(18)22(27)28-2)30-16-11-9-15(10-12-16)23-21(26)19-8-5-13-29-19/h3-14H,1-2H3,(H,23,26)(H,24,25)