[(E)-[cyano(thiophen-2-yl)methylidene]amino] octane-1-sulfonate

Systemtic Name: [(E)-[cyano(thiophen-2-yl)methylidene]amino] octane-1-sulfonate Openeye Name: [(E)-[cyano(2-thienyl)methylene]amino] octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: [(E)-[cyano(thiophen-2-yl)methylidene]amino] octane-1-sulfonate Traditional Name: octane-1-sulfonic acid [(E)-[cyano(2-thienyl)methylene]amino] ester Formula: C14H20N2O3S2 MolecularWeight: 328.4502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)ON=C(C#N)C1=CC=CS1

Isomeric SMILES

CCCCCCCCS(=O)(=O)O/N=C(\C#N)/C1=CC=CS1

InChI

InChI=1S/C14H20N2O3S2/c1-2-3-4-5-6-7-11-21(17,18)19-16-13(12-15)14-9-8-10-20-14/h8-10H,2-7,11H2,1H3/b16-13+