2-[4-(1,3-benzothiazol-2-yl)quinolin-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)quinolin-2-yl]sulfanylbenzoic acid Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)-2-quinolyl]sulfanyl]benzoic acid CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-2-quinolinyl]thio]benzoic acid IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)quinolin-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)-2-quinolyl]thio]benzoic acid Formula: C23H14N2O2S2 MolecularWeight: 414.49946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SC3=CC=CC=C3C(=O)O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SC3=CC=CC=C3C(=O)O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H14N2O2S2/c26-23(27)15-8-2-5-11-19(15)28-21-13-16(14-7-1-3-9-17(14)24-21)22-25-18-10-4-6-12-20(18)29-22/h1-13H,(H,26,27)