diethyl 2-[[(2-fluorophenyl)amino]-phenacylsulfanyl-methylidene]propanedioate

Systemtic Name: diethyl 2-[[(2-fluorophenyl)amino]-phenacylsulfanyl-methylidene]propanedioate Openeye Name: diethyl 2-[(2-fluoroanilino)-phenacylsulfanyl-methylene]propanedioate CAS Name: 2-[(2-fluoroanilino)-(phenacylthio)methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2-fluoroanilino)-phenacylsulfanylmethylidene]propanedioate Traditional Name: 2-[(2-fluoroanilino)-(phenacylthio)methylene]malonic acid diethyl ester Formula: C22H22FNO5S MolecularWeight: 431.477183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=CC=C1F)SCC(=O)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(NC1=CC=CC=C1F)SCC(=O)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H22FNO5S/c1-3-28-21(26)19(22(27)29-4-2)20(24-17-13-9-8-12-16(17)23)30-14-18(25)15-10-6-5-7-11-15/h5-13,24H,3-4,14H2,1-2H3