2-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridin-4-yl-ethanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridin-4-yl-ethanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(4-pyridyl)acetic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)-2-pyridin-4-ylacetic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridin-4-ylacetic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-2-(4-pyridyl)acetic acid Formula: C14H10N2O2S2 MolecularWeight: 302.3714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C14H10N2O2S2/c17-13(18)12(9-5-7-15-8-6-9)20-14-16-10-3-1-2-4-11(10)19-14/h1-8,12H,(H,17,18)