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

Systemtic Name: ethyl 4-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzoate Traditional Name: 4-[[4-(methylthio)-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzoic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-3-28-22(27)16-9-11-17(12-10-16)23-21(26)19(13-14-30-2)24-20(25)15-29-18-7-5-4-6-8-18/h4-12,19H,3,13-15H2,1-2H3,(H,23,26)(H,24,25)