3-oxidanylidene-2-(3-pyridin-3-ylpropylsulfanylmethyl)cyclopentane-1-carboxylic acid

Systemtic Name: 3-oxidanylidene-2-(3-pyridin-3-ylpropylsulfanylmethyl)cyclopentane-1-carboxylic acid Openeye Name: 3-oxo-2-[3-(3-pyridyl)propylsulfanylmethyl]cyclopentanecarboxylic acid CAS Name: 3-oxo-2-[[3-(3-pyridinyl)propylthio]methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 3-oxo-2-(3-pyridin-3-ylpropylsulfanylmethyl)cyclopentane-1-carboxylic acid Traditional Name: 3-keto-2-[[3-(3-pyridyl)propylthio]methyl]cyclopentanecarboxylic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1C(=O)O)CSCCCC2=CN=CC=C2

Isomeric SMILES

C1CC(=O)C(C1C(=O)O)CSCCCC2=CN=CC=C2

InChI

InChI=1S/C15H19NO3S/c17-14-6-5-12(15(18)19)13(14)10-20-8-2-4-11-3-1-7-16-9-11/h1,3,7,9,12-13H,2,4-6,8,10H2,(H,18,19)