4-[(2-pyridin-4-yl-1H-inden-5-yl)sulfanylmethyl]oxane-4-carboxylic acid

Systemtic Name: 4-[(2-pyridin-4-yl-1H-inden-5-yl)sulfanylmethyl]oxane-4-carboxylic acid Openeye Name: 4-[[2-(4-pyridyl)-1H-inden-5-yl]sulfanylmethyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[(2-pyridin-4-yl-1H-inden-5-yl)thio]methyl]-4-oxanecarboxylic acid IUPAC Name: 4-[(2-pyridin-4-yl-1H-inden-5-yl)sulfanylmethyl]oxane-4-carboxylic acid Traditional Name: 4-[[[2-(4-pyridyl)-1H-inden-5-yl]thio]methyl]tetrahydropyran-4-carboxylic acid Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CSC2=CC3=C(CC(=C3)C4=CC=NC=C4)C=C2)C(=O)O

Isomeric SMILES

C1COCCC1(CSC2=CC3=C(CC(=C3)C4=CC=NC=C4)C=C2)C(=O)O

InChI

InChI=1S/C21H21NO3S/c23-20(24)21(5-9-25-10-6-21)14-26-19-2-1-16-11-17(12-18(16)13-19)15-3-7-22-8-4-15/h1-4,7-8,12-13H,5-6,9-11,14H2,(H,23,24)