[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-[(3-fluoro-4-methyl-phenyl)methylamino]-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-[(3-fluoro-4-methyl-benzyl)amino]-2-keto-ethyl] ester Formula: C20H22FNO3S MolecularWeight: 375.456983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NCC2=CC(=C(C=C2)C)F

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NCC2=CC(=C(C=C2)C)F

InChI

InChI=1S/C20H22FNO3S/c1-14-3-7-17(8-4-14)26-10-9-20(24)25-13-19(23)22-12-16-6-5-15(2)18(21)11-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,23)