3-[[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-4-methyl-benzoic acid

Systemtic Name: 3-[[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[3-(furan-2-carbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[2-furanyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[3-(furan-2-carbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[[3-(2-furoylamino)phenyl]thio]-2-phenyl-acetyl]amino]-4-methyl-benzoic acid Formula: C27H22N2O5S MolecularWeight: 486.53898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C27H22N2O5S/c1-17-12-13-19(27(32)33)15-22(17)29-26(31)24(18-7-3-2-4-8-18)35-21-10-5-9-20(16-21)28-25(30)23-11-6-14-34-23/h2-16,24H,1H3,(H,28,30)(H,29,31)(H,32,33)