[4-[2-(phenylmethylsulfanyl)ethanoylamino]phenyl] propanoate

Systemtic Name: [4-[2-(phenylmethylsulfanyl)ethanoylamino]phenyl] propanoate Openeye Name: [4-[(2-benzylsulfanylacetyl)amino]phenyl] propanoate CAS Name: propanoic acid [4-[[1-oxo-2-(phenylmethylthio)ethyl]amino]phenyl] ester IUPAC Name: [4-[(2-benzylsulfanylacetyl)amino]phenyl] propanoate Traditional Name: propionic acid [4-[[2-(benzylthio)acetyl]amino]phenyl] ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)NC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)NC(=O)CSCC2=CC=CC=C2

InChI

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