(2S)-2-phenyl-2-quinolin-2-ylsulfanyl-ethanoic acid

Systemtic Name: (2S)-2-phenyl-2-quinolin-2-ylsulfanyl-ethanoic acid Openeye Name: (2S)-2-phenyl-2-(2-quinolylsulfanyl)acetic acid CAS Name: (2S)-2-phenyl-2-(2-quinolinylthio)acetic acid IUPAC Name: (2S)-2-phenyl-2-quinolin-2-ylsulfanylacetic acid Traditional Name: (2S)-2-phenyl-2-(2-quinolylthio)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=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)O)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H13NO2S/c19-17(20)16(13-7-2-1-3-8-13)21-15-11-10-12-6-4-5-9-14(12)18-15/h1-11,16H,(H,19,20)/t16-/m0/s1