5-(2-pyridin-4-yl-1,3-dithian-4-yl)pentanoic acid

Systemtic Name: 5-(2-pyridin-4-yl-1,3-dithian-4-yl)pentanoic acid Openeye Name: 5-[2-(4-pyridyl)-1,3-dithian-4-yl]pentanoic acid CAS Name: 5-(2-pyridin-4-yl-1,3-dithian-4-yl)pentanoic acid IUPAC Name: 5-(2-pyridin-4-yl-1,3-dithian-4-yl)pentanoic acid Traditional Name: 5-[2-(4-pyridyl)-1,3-dithian-4-yl]valeric acid Formula: C14H19NO2S2 MolecularWeight: 297.43616

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1CCCCC(=O)O)C2=CC=NC=C2

Isomeric SMILES

C1CSC(SC1CCCCC(=O)O)C2=CC=NC=C2

InChI

InChI=1S/C14H19NO2S2/c16-13(17)4-2-1-3-12-7-10-18-14(19-12)11-5-8-15-9-6-11/h5-6,8-9,12,14H,1-4,7,10H2,(H,16,17)