[(R)-isoquinolin-1-yl(thiophen-2-yl)methyl] benzoate

Systemtic Name: [(R)-isoquinolin-1-yl(thiophen-2-yl)methyl] benzoate Openeye Name: [(R)-1-isoquinolyl(2-thienyl)methyl] benzoate CAS Name: benzoic acid [(R)-1-isoquinolinyl(thiophen-2-yl)methyl] ester IUPAC Name: [(R)-isoquinolin-1-yl(thiophen-2-yl)methyl] benzoate Traditional Name: benzoic acid [(R)-1-isoquinolyl(2-thienyl)methyl] ester Formula: C21H15NO2S MolecularWeight: 345.4143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C2=CC=CS2)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@@H](C2=CC=CS2)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C21H15NO2S/c23-21(16-8-2-1-3-9-16)24-20(18-11-6-14-25-18)19-17-10-5-4-7-15(17)12-13-22-19/h1-14,20H/t20-/m0/s1