butyl 4-[[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[3-(furan-2-carbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[2-furanyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-(furan-2-carbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(2-furoylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid butyl ester Formula: C30H28N2O5S MolecularWeight: 528.61872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28N2O5S/c1-2-3-18-37-30(35)22-14-16-23(17-15-22)31-29(34)27(21-9-5-4-6-10-21)38-25-12-7-11-24(20-25)32-28(33)26-13-8-19-36-26/h4-17,19-20,27H,2-3,18H2,1H3,(H,31,34)(H,32,33)