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

Systemtic Name: 4-chloranyl-3-[2-[4-(furan-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[4-(furan-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[[4-[[2-furanyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[4-(furan-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[4-(2-furoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O5S/c1-12(19(25)24-17-11-13(21(27)28)4-9-16(17)22)30-15-7-5-14(6-8-15)23-20(26)18-3-2-10-29-18/h2-12H,1H3,(H,23,26)(H,24,25)(H,27,28)