butyl 4-[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]butyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]butanoylamino]benzoic acid butyl ester Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O5S/c1-3-5-18-35-29(34)21-14-16-22(17-15-21)31-28(33)26(4-2)37-25-13-9-10-23(19-25)30-27(32)20-36-24-11-7-6-8-12-24/h6-17,19,26H,3-5,18,20H2,1-2H3,(H,30,32)(H,31,33)