[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H13FN2O3S MolecularWeight: 320.338723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C15H13FN2O3S/c1-9-13-10(16)4-2-5-11(13)22-14(9)15(20)21-8-12(19)18-7-3-6-17/h2,4-5H,3,7-8H2,1H3,(H,18,19)