ethyl 5-azanyl-4-cyano-3-(pyrrolidin-1-ium-1-ylmethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(pyrrolidin-1-ium-1-ylmethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(pyrrolidin-1-ium-1-ylmethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-(1-pyrrolidin-1-iumylmethyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(pyrrolidin-1-ium-1-ylmethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-(pyrrolidin-1-ium-1-ylmethyl)thiophene-2-carboxylic acid ethyl ester Formula: C13H18N3O2S+ MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCCC2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCCC2

InChI

InChI=1S/C13H17N3O2S/c1-2-18-13(17)11-10(8-16-5-3-4-6-16)9(7-14)12(15)19-11/h2-6,8,15H2,1H3/p+1