3-(thiomorpholin-4-ium-4-ylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: 3-(thiomorpholin-4-ium-4-ylmethyl)-1-benzofuran-2-carboxylate Openeye Name: 3-(thiomorpholin-4-ium-4-ylmethyl)benzofuran-2-carboxylate CAS Name: 3-(4-thiomorpholin-4-iumylmethyl)-2-benzofurancarboxylate IUPAC Name: 3-(thiomorpholin-4-ium-4-ylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(thiomorpholin-4-ium-4-ylmethyl)coumarilate Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=C(OC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1CSCC[NH+]1CC2=C(OC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C14H15NO3S/c16-14(17)13-11(9-15-5-7-19-8-6-15)10-3-1-2-4-12(10)18-13/h1-4H,5-9H2,(H,16,17)