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

Systemtic Name: ethyl 4-[[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C31H28N2O5S MolecularWeight: 540.62942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C31H28N2O5S/c1-2-37-31(36)23-16-18-24(19-17-23)33-30(35)29(22-10-5-3-6-11-22)39-27-15-9-12-25(20-27)32-28(34)21-38-26-13-7-4-8-14-26/h3-20,29H,2,21H2,1H3,(H,32,34)(H,33,35)