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

Systemtic Name: methyl 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate Openeye Name: methyl 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]benzoate CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-benzyl-3-sulfanylpropanoyl)amino]benzoate Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C18H19NO3S/c1-22-18(21)14-8-5-9-16(11-14)19-17(20)15(12-23)10-13-6-3-2-4-7-13/h2-9,11,15,23H,10,12H2,1H3,(H,19,20)