ethyl 3-methyl-5-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 3-methyl-5-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 3-methyl-5-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C15H24N3O3S2+ MolecularWeight: 358.49936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NCC[NH+]2CCOCC2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NCC[NH+]2CCOCC2)C

InChI

InChI=1S/C15H23N3O3S2/c1-3-21-14(19)13-11(2)10-12(23-13)17-15(22)16-4-5-18-6-8-20-9-7-18/h10H,3-9H2,1-2H3,(H2,16,17,22)/p+1