[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 4-(trifluoromethyl)benzoate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-2-oxo-ethyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [2-[5-(acetamidomethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C17H14F3NO4S MolecularWeight: 385.35757

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H14F3NO4S/c1-10(22)21-8-13-6-7-15(26-13)14(23)9-25-16(24)11-2-4-12(5-3-11)17(18,19)20/h2-7H,8-9H2,1H3,(H,21,22)