[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-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] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S/c1-13(20(24)22-9-8-14-4-2-3-5-15(14)12-22)28-21(25)19-11-16-10-17(23(26)27)6-7-18(16)29-19/h2-7,10-11,13H,8-9,12H2,1H3/t13-/m1/s1