[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-keto-ethyl] ester Formula: C16H14ClFN2O3S MolecularWeight: 368.810363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClFN2O3S/c1-16(2,8-19)20(3)12(21)7-23-15(22)14-13(17)10-5-4-9(18)6-11(10)24-14/h4-6H,7H2,1-3H3