ethyl 3-(2-phenylsulfanylethanoylamino)butanoate

Systemtic Name: ethyl 3-(2-phenylsulfanylethanoylamino)butanoate Openeye Name: ethyl 3-[(2-phenylsulfanylacetyl)amino]butanoate CAS Name: 3-[[1-oxo-2-(phenylthio)ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[(2-phenylsulfanylacetyl)amino]butanoate Traditional Name: 3-[[2-(phenylthio)acetyl]amino]butyric acid ethyl ester Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CC(C)NC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C14H19NO3S/c1-3-18-14(17)9-11(2)15-13(16)10-19-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,15,16)