4-[[(2S)-2-(phenylmethylsulfanyl)propanoyl]amino]benzoate

Systemtic Name: 4-[[(2S)-2-(phenylmethylsulfanyl)propanoyl]amino]benzoate Openeye Name: 4-[[(2S)-2-benzylsulfanylpropanoyl]amino]benzoate CAS Name: 4-[[(2S)-1-oxo-2-(phenylmethylthio)propyl]amino]benzoate IUPAC Name: 4-[[(2S)-2-benzylsulfanylpropanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-(benzylthio)propanoyl]amino]benzoate Formula: C17H16NO3S- MolecularWeight: 314.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)[O-])SCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)[O-])SCC2=CC=CC=C2

InChI

InChI=1S/C17H17NO3S/c1-12(22-11-13-5-3-2-4-6-13)16(19)18-15-9-7-14(8-10-15)17(20)21/h2-10,12H,11H2,1H3,(H,18,19)(H,20,21)/p-1/t12-/m0/s1