propan-2-yl 4-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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