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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl

InChI

InChI=1S/C15H15ClFNO3S/c1-3-8(2)18-12(19)7-21-15(20)14-13(16)10-5-4-9(17)6-11(10)22-14/h4-6,8H,3,7H2,1-2H3,(H,18,19)