methyl 3-[3-(phenylmethylsulfanyl)propanoylamino]benzoate

Systemtic Name: methyl 3-[3-(phenylmethylsulfanyl)propanoylamino]benzoate Openeye Name: methyl 3-(3-benzylsulfanylpropanoylamino)benzoate CAS Name: 3-[[1-oxo-3-(phenylmethylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(3-benzylsulfanylpropanoylamino)benzoate Traditional Name: 3-[3-(benzylthio)propanoylamino]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)CCSCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CCSCC2=CC=CC=C2

InChI

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