[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C15H15ClFNO3S MolecularWeight: 343.800903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl

InChI

InChI=1S/C15H15ClFNO3S/c1-8(2)6-18-12(19)7-21-15(20)14-13(16)10-4-3-9(17)5-11(10)22-14/h3-5,8H,6-7H2,1-2H3,(H,18,19)