ethyl 4-methylsulfanyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: ethyl 4-methylsulfanyl-2-(2-phenylethanoylamino)butanoate Openeye Name: ethyl 4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenylethyl)amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(2-phenylacetyl)amino]butyric acid ethyl ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)CC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(CCSC)NC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C15H21NO3S/c1-3-19-15(18)13(9-10-20-2)16-14(17)11-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,16,17)