[2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-thienyl]-2-oxo-ethyl] 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic 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] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid [2-keto-2-[5-[(pivaloylamino)methyl]-2-thienyl]ethyl] ester Formula: C22H22FNO4S2 MolecularWeight: 447.542783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)OCC(=O)C3=CC=C(S3)CNC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)OCC(=O)C3=CC=C(S3)CNC(=O)C(C)(C)C

InChI

InChI=1S/C22H22FNO4S2/c1-12-18-14(23)6-5-7-17(18)30-19(12)20(26)28-11-15(25)16-9-8-13(29-16)10-24-21(27)22(2,3)4/h5-9H,10-11H2,1-4H3,(H,24,27)