ethyl 5-cyano-2-methyl-6-sulfanylidene-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-sulfanylidene-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-6-thioxo-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-sulfanylidene-1-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-sulfanylidene-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-6-thioxo-nicotinic acid ethyl ester Formula: C19H22N3O2S2+ MolecularWeight: 388.52688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)C[NH+]2CCCC2C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)C[NH+]2CCC[C@@H]2C3=CC=CS3)C

InChI

InChI=1S/C19H21N3O2S2/c1-3-24-19(23)15-10-14(11-20)18(25)22(13(15)2)12-21-8-4-6-16(21)17-7-5-9-26-17/h5,7,9-10,16H,3-4,6,8,12H2,1-2H3/p+1/t16-/m1/s1