[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H17ClFNO3S MolecularWeight: 381.848883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl)F

InChI

InChI=1S/C18H17ClFNO3S/c19-14-3-7-16(8-4-14)25-10-9-18(23)24-12-17(22)21-11-13-1-5-15(20)6-2-13/h1-8H,9-12H2,(H,21,22)