ethyl 4-methylidene-6-pyridin-1-ium-3-yl-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-methylidene-6-pyridin-1-ium-3-yl-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-methylene-6-pyridin-1-ium-3-yl-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-6-(3-pyridin-1-iumyl)-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methylidene-6-pyridin-1-ium-3-yl-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-methylene-6-pyridin-1-ium-3-yl-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C13H16N3O2S+ MolecularWeight: 278.35004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=C[NH+]=CC=C2

Isomeric SMILES

CCOC(=O)C1C(NC(=S)NC1=C)C2=C[NH+]=CC=C2

InChI

InChI=1S/C13H15N3O2S/c1-3-18-12(17)10-8(2)15-13(19)16-11(10)9-5-4-6-14-7-9/h4-7,10-11H,2-3H2,1H3,(H2,15,16,19)/p+1