ethyl 2,4-dimethyl-5-[[2-(2-morpholin-4-ium-4-ylethylcarbamothioyl)hydrazinyl]methylidene]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[2-(2-morpholin-4-ium-4-ylethylcarbamothioyl)hydrazinyl]methylidene]pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[2-(2-morpholin-4-ium-4-ylethylcarbamothioyl)hydrazino]methylene]pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]hydrazo]methylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[2-(2-morpholin-4-ium-4-ylethylcarbamothioyl)hydrazinyl]methylidene]pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[N'-(2-morpholin-4-ium-4-ylethylthiocarbamoyl)hydrazino]methylene]pyrrole-3-carboxylic acid ethyl ester Formula: C17H28N5O3S+ MolecularWeight: 382.50092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CNNC(=S)NCC[NH+]2CCOCC2)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CNNC(=S)NCC[NH+]2CCOCC2)N=C1C)C

InChI

InChI=1S/C17H27N5O3S/c1-4-25-16(23)15-12(2)14(20-13(15)3)11-19-21-17(26)18-5-6-22-7-9-24-10-8-22/h11,19H,4-10H2,1-3H3,(H2,18,21,26)/p+1