[2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-thienyl]-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-[5-[[(2,2-dimethyl-1-oxopropyl)amino]methyl]-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-keto-2-[5-[(pivaloylamino)methyl]-2-thienyl]ethyl] ester Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C(C)(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C(C)(C)C)F

InChI

InChI=1S/C20H22FNO4S/c1-12-5-6-13(9-15(12)21)18(24)26-11-16(23)17-8-7-14(27-17)10-22-19(25)20(2,3)4/h5-9H,10-11H2,1-4H3,(H,22,25)