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

Systemtic Name: [1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H17ClFNO3S MolecularWeight: 357.827483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClFNO3S/c1-8(2)7-19-15(20)9(3)22-16(21)14-13(17)11-5-4-10(18)6-12(11)23-14/h4-6,8-9H,7H2,1-3H3,(H,19,20)