ethyl 4-[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O5S/c1-3-32-26(31)19-12-14-20(15-13-19)28-25(30)18(2)34-23-11-7-8-21(16-23)27-24(29)17-33-22-9-5-4-6-10-22/h4-16,18H,3,17H2,1-2H3,(H,27,29)(H,28,30)