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

Systemtic Name: ethyl 3-[2-[(4-fluorophenyl)carbamoylamino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: ethyl 3-[2-[(4-fluorophenyl)carbamoylamino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[[2-[[(4-fluoroanilino)-oxomethyl]amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[(4-fluorophenyl)carbamoylamino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[[2-[(4-fluorophenyl)carbamoylamino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid ethyl ester Formula: C21H24FN3O4S MolecularWeight: 433.496363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CSCCNC(=O)NC1=CC=C(C=C1)F)C(=O)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CC(CSCCNC(=O)NC1=CC=C(C=C1)F)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C21H24FN3O4S/c1-2-29-19(26)12-16(20(27)15-4-3-9-23-13-15)14-30-11-10-24-21(28)25-18-7-5-17(22)6-8-18/h3-9,13,16H,2,10-12,14H2,1H3,(H2,24,25,28)