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

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(2-chlorophenyl)thio]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] 3-(2-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-chlorophenyl)thio]propionic acid [2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H20ClFN2O4S MolecularWeight: 438.900203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClFN2O4S/c21-16-3-1-2-4-17(16)29-12-10-20(27)28-13-19(26)24(11-9-18(23)25)15-7-5-14(22)6-8-15/h1-8H,9-13H2,(H2,23,25)