butyl 4-[2-[3-[(2-fluorophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-[(2-fluorophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[(2-fluorobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(2-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[(2-fluorobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-[(2-fluorobenzoyl)amino]phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C27H27FN2O4S MolecularWeight: 494.577683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C27H27FN2O4S/c1-3-4-16-34-27(33)19-12-14-20(15-13-19)29-25(31)18(2)35-22-9-7-8-21(17-22)30-26(32)23-10-5-6-11-24(23)28/h5-15,17-18H,3-4,16H2,1-2H3,(H,29,31)(H,30,32)