[2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(2,4-difluoroanilino)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-(2,4-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-difluoroanilino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(2,4-difluoroanilino)-2-keto-ethyl] ester Formula: C20H20F2N2O4S MolecularWeight: 422.445606

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=C(C=C(C=C1)F)F)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC1=C(C=C(C=C1)F)F)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H20F2N2O4S/c1-29-10-9-17(24-19(26)13-5-3-2-4-6-13)20(27)28-12-18(25)23-16-8-7-14(21)11-15(16)22/h2-8,11,17H,9-10,12H2,1H3,(H,23,25)(H,24,26)