1-methyl-3-oxidanylidene-2-(3-pyridin-3-ylpropylsulfanyl)cyclopentane-1-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C1SCCCC2=CN=CC=C2)C(=O)O

Isomeric SMILES

CC1(CCC(=O)C1SCCCC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-15(14(18)19)7-6-12(17)13(15)20-9-3-5-11-4-2-8-16-10-11/h2,4,8,10,13H,3,5-7,9H2,1H3,(H,18,19)