[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C19H20FNO3S MolecularWeight: 361.430403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2)F

InChI

InChI=1S/C19H20FNO3S/c1-14-8-9-15(12-17(14)20)19(23)24-13-18(22)21-10-5-11-25-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,22)