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

Systemtic Name: pyridin-3-ylmethyl 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate Openeye Name: 3-pyridylmethyl 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]benzoate CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]benzoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 3-[(2-benzyl-3-sulfanylpropanoyl)amino]benzoate Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]benzoic acid 3-pyridylmethyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S/c26-22(20(16-29)12-17-6-2-1-3-7-17)25-21-10-4-9-19(13-21)23(27)28-15-18-8-5-11-24-14-18/h1-11,13-14,20,29H,12,15-16H2,(H,25,26)