3-(2-phenylsulfanylethanoylamino)butanoic acid

Systemtic Name: 3-(2-phenylsulfanylethanoylamino)butanoic acid Openeye Name: 3-[(2-phenylsulfanylacetyl)amino]butanoic acid CAS Name: 3-[[1-oxo-2-(phenylthio)ethyl]amino]butanoic acid IUPAC Name: 3-[(2-phenylsulfanylacetyl)amino]butanoic acid Traditional Name: 3-[[2-(phenylthio)acetyl]amino]butyric acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-9(7-12(15)16)13-11(14)8-17-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)(H,15,16)