2-(4-phenylsulfanylbutanoylamino)ethanoic acid

Systemtic Name: 2-(4-phenylsulfanylbutanoylamino)ethanoic acid Openeye Name: 2-(4-phenylsulfanylbutanoylamino)acetic acid CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]acetic acid IUPAC Name: 2-(4-phenylsulfanylbutanoylamino)acetic acid Traditional Name: 2-[4-(phenylthio)butanoylamino]acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NCC(=O)O

InChI

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