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

Systemtic Name: 1-(2-pyridin-4-ylsulfanylethanoylamino)cycloheptane-1-carboxylic acid Openeye Name: 1-[[2-(4-pyridylsulfanyl)acetyl]amino]cycloheptanecarboxylic acid CAS Name: 1-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[(2-pyridin-4-ylsulfanylacetyl)amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[2-(4-pyridylthio)acetyl]amino]cycloheptanecarboxylic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C(=O)O)NC(=O)CSC2=CC=NC=C2

Isomeric SMILES

C1CCCC(CC1)(C(=O)O)NC(=O)CSC2=CC=NC=C2

InChI

InChI=1S/C15H20N2O3S/c18-13(11-21-12-5-9-16-10-6-12)17-15(14(19)20)7-3-1-2-4-8-15/h5-6,9-10H,1-4,7-8,11H2,(H,17,18)(H,19,20)