1-(2-pyridin-4-ylsulfanylethanoylamino)cyclohexane-1-carboxylic acid

Systemtic Name: 1-(2-pyridin-4-ylsulfanylethanoylamino)cyclohexane-1-carboxylic acid Openeye Name: 1-[[2-(4-pyridylsulfanyl)acetyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[2-(4-pyridylthio)acetyl]amino]cyclohexanecarboxylic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)O)NC(=O)CSC2=CC=NC=C2

Isomeric SMILES

C1CCC(CC1)(C(=O)O)NC(=O)CSC2=CC=NC=C2

InChI

InChI=1S/C14H18N2O3S/c17-12(10-20-11-4-8-15-9-5-11)16-14(13(18)19)6-2-1-3-7-14/h4-5,8-9H,1-3,6-7,10H2,(H,16,17)(H,18,19)