2-phenylsulfanylethanoyl 4-azanylbutanoate

Systemtic Name: 2-phenylsulfanylethanoyl 4-azanylbutanoate Openeye Name: (2-phenylsulfanylacetyl) 4-aminobutanoate CAS Name: 4-aminobutanoic acid [1-oxo-2-(phenylthio)ethyl] ester IUPAC Name: (2-phenylsulfanylacetyl) 4-aminobutanoate Traditional Name: 4-aminobutyric acid [2-(phenylthio)acetyl] ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)OC(=O)CCCN

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)OC(=O)CCCN

InChI

InChI=1S/C12H15NO3S/c13-8-4-7-11(14)16-12(15)9-17-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2