propyl 4-(2-phenylsulfanylethanoylamino)benzoate

Systemtic Name: propyl 4-(2-phenylsulfanylethanoylamino)benzoate Openeye Name: propyl 4-[(2-phenylsulfanylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(2-phenylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(phenylthio)acetyl]amino]benzoic acid propyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2

InChI

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