[2-methyl-1-(octanethioylamino)-1-pyridin-3-yl-propan-2-yl] dihydrogen phosphate

Systemtic Name: [2-methyl-1-(octanethioylamino)-1-pyridin-3-yl-propan-2-yl] dihydrogen phosphate Openeye Name: [1,1-dimethyl-2-(octanethioylamino)-2-(3-pyridyl)ethyl] dihydrogen phosphate CAS Name: [2-methyl-1-(3-pyridinyl)-1-(1-sulfanylideneoctylamino)propan-2-yl] dihydrogen phosphate IUPAC Name: [2-methyl-1-(octanethioylamino)-1-pyridin-3-ylpropan-2-yl] dihydrogen phosphate Traditional Name: [1,1-dimethyl-2-(octanethioylamino)-2-(3-pyridyl)ethyl] dihydrogen phosphate Formula: C17H29N2O4PS MolecularWeight: 388.461921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=S)NC(C1=CN=CC=C1)C(C)(C)OP(=O)(O)O

Isomeric SMILES

CCCCCCCC(=S)NC(C1=CN=CC=C1)C(C)(C)OP(=O)(O)O

InChI

InChI=1S/C17H29N2O4PS/c1-4-5-6-7-8-11-15(25)19-16(14-10-9-12-18-13-14)17(2,3)23-24(20,21)22/h9-10,12-13,16H,4-8,11H2,1-3H3,(H,19,25)(H2,20,21,22)