ethyl 5-cyano-2-methyl-1-(pyrrolidin-1-ium-1-ylmethyl)-6-sulfanylidene-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-1-(pyrrolidin-1-ium-1-ylmethyl)-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-1-(pyrrolidin-1-ium-1-ylmethyl)-6-thioxo-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-1-(1-pyrrolidin-1-iumylmethyl)-6-sulfanylidene-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-1-(pyrrolidin-1-ium-1-ylmethyl)-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-1-(pyrrolidin-1-ium-1-ylmethyl)-6-thioxo-nicotinic acid ethyl ester Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O2S/c1-3-20-15(19)13-8-12(9-16)14(21)18(11(13)2)10-17-6-4-5-7-17/h8H,3-7,10H2,1-2H3/p+1