methyl 2-[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: methyl 2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 2-[[1-oxo-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 2-[2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]butanoylamino]benzoic acid methyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

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