[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpropanoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpropanoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl] 2-phenylsulfanylpropanoate CAS Name: 2-(phenylthio)propanoic acid [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-phenylsulfanylpropanoate Traditional Name: 2-(phenylthio)propionic acid [2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H21FN2O4S MolecularWeight: 404.455143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(CCC(=O)N)C1=CC=C(C=C1)F)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OCC(=O)N(CCC(=O)N)C1=CC=C(C=C1)F)SC2=CC=CC=C2

InChI

InChI=1S/C20H21FN2O4S/c1-14(28-17-5-3-2-4-6-17)20(26)27-13-19(25)23(12-11-18(22)24)16-9-7-15(21)8-10-16/h2-10,14H,11-13H2,1H3,(H2,22,24)