propyl 4-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzoate

Systemtic Name: propyl 4-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzoate Openeye Name: propyl 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzoate CAS Name: 4-[[4-(methylthio)-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzoate Traditional Name: 4-[[4-(methylthio)-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzoic acid propyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O5S/c1-3-14-29-23(28)17-9-11-18(12-10-17)24-22(27)20(13-15-31-2)25-21(26)16-30-19-7-5-4-6-8-19/h4-12,20H,3,13-16H2,1-2H3,(H,24,27)(H,25,26)