ethyl 3-[2-[(4-fluorophenyl)carbonylamino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate

Systemtic Name: ethyl 3-[2-[(4-fluorophenyl)carbonylamino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: ethyl 3-[2-[(4-fluorobenzoyl)amino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[[2-[[(4-fluorophenyl)-oxomethyl]amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[(4-fluorobenzoyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[[2-[(4-fluorobenzoyl)amino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid ethyl ester Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CSCCNC(=O)C1=CC=C(C=C1)F)C(=O)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CC(CSCCNC(=O)C1=CC=C(C=C1)F)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C21H23FN2O4S/c1-2-28-19(25)12-17(20(26)16-4-3-9-23-13-16)14-29-11-10-24-21(27)15-5-7-18(22)8-6-15/h3-9,13,17H,2,10-12,14H2,1H3,(H,24,27)