3-[2-[4-(furan-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[4-(furan-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[4-(furan-2-carbonylamino)phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[4-[[2-furanyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[4-(furan-2-carbonylamino)phenyl]sulfanylpropanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[[4-(2-furoylamino)phenyl]thio]propanoylamino]-4-methyl-benzoic acid Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CO3

InChI

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