ethyl 4-(3-phenylsulfanylpropanoylamino)benzoate

Systemtic Name: ethyl 4-(3-phenylsulfanylpropanoylamino)benzoate Openeye Name: ethyl 4-(3-phenylsulfanylpropanoylamino)benzoate CAS Name: 4-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylsulfanylpropanoylamino)benzoate Traditional Name: 4-[3-(phenylthio)propanoylamino]benzoic acid ethyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=CC=CC=C2

InChI

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