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

Systemtic Name: butyl 4-[[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid butyl ester Formula: C33H32N2O5S MolecularWeight: 568.68258

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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)COC4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C33H32N2O5S/c1-2-3-21-39-33(38)25-17-19-26(20-18-25)35-32(37)31(24-11-6-4-7-12-24)41-29-16-10-13-27(22-29)34-30(36)23-40-28-14-8-5-9-15-28/h4-20,22,31H,2-3,21,23H2,1H3,(H,34,36)(H,35,37)