methyl 3-oxidanylidene-5-thiophen-3-yl-5-[2,2,2-tris(fluoranyl)ethanoylamino]pentanoate

Systemtic Name: methyl 3-oxidanylidene-5-thiophen-3-yl-5-[2,2,2-tris(fluoranyl)ethanoylamino]pentanoate Openeye Name: methyl 3-oxo-5-(3-thienyl)-5-[(2,2,2-trifluoroacetyl)amino]pentanoate CAS Name: 3-oxo-5-(3-thiophenyl)-5-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanoic acid methyl ester IUPAC Name: methyl 3-oxo-5-thiophen-3-yl-5-[(2,2,2-trifluoroacetyl)amino]pentanoate Traditional Name: 3-keto-5-(3-thienyl)-5-[(2,2,2-trifluoroacetyl)amino]valeric acid methyl ester Formula: C12H12F3NO4S MolecularWeight: 323.28819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CC(C1=CSC=C1)NC(=O)C(F)(F)F

Isomeric SMILES

COC(=O)CC(=O)CC(C1=CSC=C1)NC(=O)C(F)(F)F

InChI

InChI=1S/C12H12F3NO4S/c1-20-10(18)5-8(17)4-9(7-2-3-21-6-7)16-11(19)12(13,14)15/h2-3,6,9H,4-5H2,1H3,(H,16,19)