methyl 4-[2-(phenylmethylsulfanyl)propanoylamino]benzoate

Systemtic Name: methyl 4-[2-(phenylmethylsulfanyl)propanoylamino]benzoate Openeye Name: methyl 4-(2-benzylsulfanylpropanoylamino)benzoate CAS Name: 4-[[1-oxo-2-(phenylmethylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2-benzylsulfanylpropanoylamino)benzoate Traditional Name: 4-[2-(benzylthio)propanoylamino]benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO3S/c1-13(23-12-14-6-4-3-5-7-14)17(20)19-16-10-8-15(9-11-16)18(21)22-2/h3-11,13H,12H2,1-2H3,(H,19,20)