ethyl 2,5,5-trimethyl-1-oxidanidyl-4-thiophen-2-yl-pyrrol-1-ium-3-carboxylate

Systemtic Name: ethyl 2,5,5-trimethyl-1-oxidanidyl-4-thiophen-2-yl-pyrrol-1-ium-3-carboxylate Openeye Name: ethyl 2,5,5-trimethyl-1-oxido-4-(2-thienyl)pyrrol-1-ium-3-carboxylate CAS Name: 2,5,5-trimethyl-1-oxido-4-thiophen-2-yl-3-pyrrol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2,5,5-trimethyl-1-oxido-4-thiophen-2-ylpyrrol-1-ium-3-carboxylate Traditional Name: 2,5,5-trimethyl-1-oxido-4-(2-thienyl)pyrrol-1-ium-3-carboxylic acid ethyl ester Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C([N+](=C1C)[O-])(C)C)C2=CC=CS2

Isomeric SMILES

CCOC(=O)C1=C(C([N+](=C1C)[O-])(C)C)C2=CC=CS2

InChI

InChI=1S/C14H17NO3S/c1-5-18-13(16)11-9(2)15(17)14(3,4)12(11)10-7-6-8-19-10/h6-8H,5H2,1-4H3