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

Systemtic Name: butyl 4-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzoate Traditional Name: 4-[[4-(methylthio)-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzoic acid butyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c1-3-4-15-30-24(29)18-10-12-19(13-11-18)25-23(28)21(14-16-32-2)26-22(27)17-31-20-8-6-5-7-9-20/h5-13,21H,3-4,14-17H2,1-2H3,(H,25,28)(H,26,27)