phenacyl 4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: phenacyl 4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: phenacyl 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid phenacyl ester IUPAC Name: phenacyl 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid phenacyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H23NO5S/c1-28-13-12-18(22-20(24)15-26-17-10-6-3-7-11-17)21(25)27-14-19(23)16-8-4-2-5-9-16/h2-11,18H,12-15H2,1H3,(H,22,24)