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

Systemtic Name: ethyl 2-[2-[(2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]oxyethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]oxyacetyl]amino]benzoate CAS Name: 2-[[2-[(2S)-4-(methylthio)-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butoxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]oxyacetyl]amino]benzoate Traditional Name: 2-[[2-[(2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butanoyl]oxyacetyl]amino]benzoic acid ethyl ester Formula: C24H28N2O7S MolecularWeight: 488.55332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C24H28N2O7S/c1-3-31-23(29)18-11-7-8-12-19(18)25-22(28)16-33-24(30)20(13-14-34-2)26-21(27)15-32-17-9-5-4-6-10-17/h4-12,20H,3,13-16H2,1-2H3,(H,25,28)(H,26,27)/t20-/m0/s1