(2R)-2-isoquinolin-1-ylsulfanyl-2-phenyl-ethanoic acid

Systemtic Name: (2R)-2-isoquinolin-1-ylsulfanyl-2-phenyl-ethanoic acid Openeye Name: (2R)-2-(1-isoquinolylsulfanyl)-2-phenyl-acetic acid CAS Name: (2R)-2-(1-isoquinolinylthio)-2-phenylacetic acid IUPAC Name: (2R)-2-isoquinolin-1-ylsulfanyl-2-phenylacetic acid Traditional Name: (2R)-2-(1-isoquinolylthio)-2-phenyl-acetic acid Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=NC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)O)SC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C17H13NO2S/c19-17(20)15(13-7-2-1-3-8-13)21-16-14-9-5-4-6-12(14)10-11-18-16/h1-11,15H,(H,19,20)/t15-/m1/s1