4-(2-phenylsulfanylethanoylamino)butanoic acid

Systemtic Name: 4-(2-phenylsulfanylethanoylamino)butanoic acid Openeye Name: 4-[(2-phenylsulfanylacetyl)amino]butanoic acid CAS Name: 4-[[1-oxo-2-(phenylthio)ethyl]amino]butanoic acid IUPAC Name: 4-[(2-phenylsulfanylacetyl)amino]butanoic acid Traditional Name: 4-[[2-(phenylthio)acetyl]amino]butyric acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)NCCCC(=O)O

InChI

InChI=1S/C12H15NO3S/c14-11(13-8-4-7-12(15)16)9-17-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14)(H,15,16)