[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H15FN2O3S MolecularWeight: 382.408103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)O[C@H](C)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H15FN2O3S/c1-11-17-15(21)7-4-8-16(17)27-18(11)20(25)26-12(2)19(24)23-14-6-3-5-13(9-14)10-22/h3-9,12H,1-2H3,(H,23,24)/t12-/m1/s1