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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NC2=CC=C(C=C2)F

InChI

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