propyl 3-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: propyl 3-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: propyl 3-[[2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid propyl ester Formula: C20H21FN2O4S MolecularWeight: 404.455143

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C20H21FN2O4S/c1-2-10-27-20(26)14-4-3-5-17(11-14)23-19(25)13-28-12-18(24)22-16-8-6-15(21)7-9-16/h3-9,11H,2,10,12-13H2,1H3,(H,22,24)(H,23,25)