[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-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-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H20FNO3S MolecularWeight: 397.462503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)OC(C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)O[C@H](C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H20FNO3S/c1-13-19-17(23)8-5-9-18(19)28-20(13)22(26)27-14(2)21(25)24-11-10-15-6-3-4-7-16(15)12-24/h3-9,14H,10-12H2,1-2H3/t14-/m1/s1