[2-(octanethioylamino)-2-pyridin-3-yl-ethyl] dihydrogen phosphate

Systemtic Name: [2-(octanethioylamino)-2-pyridin-3-yl-ethyl] dihydrogen phosphate Openeye Name: [2-(octanethioylamino)-2-(3-pyridyl)ethyl] dihydrogen phosphate CAS Name: [2-(3-pyridinyl)-2-(1-sulfanylideneoctylamino)ethyl] dihydrogen phosphate IUPAC Name: [2-(octanethioylamino)-2-pyridin-3-ylethyl] dihydrogen phosphate Traditional Name: [2-(octanethioylamino)-2-(3-pyridyl)ethyl] dihydrogen phosphate Formula: C15H25N2O4PS MolecularWeight: 360.408761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=S)NC(COP(=O)(O)O)C1=CN=CC=C1

Isomeric SMILES

CCCCCCCC(=S)NC(COP(=O)(O)O)C1=CN=CC=C1

InChI

InChI=1S/C15H25N2O4PS/c1-2-3-4-5-6-9-15(23)17-14(12-21-22(18,19)20)13-8-7-10-16-11-13/h7-8,10-11,14H,2-6,9,12H2,1H3,(H,17,23)(H2,18,19,20)