2-(prop-2-ynoxymethylcarbamothioylamino)ethanesulfonate

Systemtic Name: 2-(prop-2-ynoxymethylcarbamothioylamino)ethanesulfonate Openeye Name: 2-(prop-2-ynoxymethylcarbamothioylamino)ethanesulfonate CAS Name: 2-[[(prop-2-ynoxymethylamino)-sulfanylidenemethyl]amino]ethanesulfonate IUPAC Name: 2-(prop-2-ynoxymethylcarbamothioylamino)ethanesulfonate Traditional Name: 2-(propargyloxymethylthiocarbamoylamino)ethanesulfonate Formula: C7H11N2O4S2- MolecularWeight: 251.30324

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOCNC(=S)NCCS(=O)(=O)[O-]

Isomeric SMILES

C#CCOCNC(=S)NCCS(=O)(=O)[O-]

InChI

InChI=1S/C7H12N2O4S2/c1-2-4-13-6-9-7(14)8-3-5-15(10,11)12/h1H,3-6H2,(H2,8,9,14)(H,10,11,12)/p-1