[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(2-chlorophenyl)thio]propanoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-chlorophenyl)thio]propionic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C17H14BrClFNO3S MolecularWeight: 446.718363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCCC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F)Cl

Isomeric SMILES

C1=CC=C(C(=C1)SCCC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F)Cl

InChI

InChI=1S/C17H14BrClFNO3S/c18-11-5-6-14(13(20)9-11)21-16(22)10-24-17(23)7-8-25-15-4-2-1-3-12(15)19/h1-6,9H,7-8,10H2,(H,21,22)