2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate

Systemtic Name: 2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]benzoate CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]benzoate IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]benzoate Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]benzoate Formula: C17H16NO3S- MolecularWeight: 314.37884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C17H17NO3S/c19-16(13(11-22)10-12-6-2-1-3-7-12)18-15-9-5-4-8-14(15)17(20)21/h1-9,13,22H,10-11H2,(H,18,19)(H,20,21)/p-1