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

Systemtic Name: (phenylmethyl) 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate Openeye Name: benzyl 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]benzoate CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2-benzyl-3-sulfanylpropanoyl)amino]benzoate Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]benzoic acid benzyl ester Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H23NO3S/c26-23(21(17-29)14-18-8-3-1-4-9-18)25-22-13-7-12-20(15-22)24(27)28-16-19-10-5-2-6-11-19/h1-13,15,21,29H,14,16-17H2,(H,25,26)