ethyl 2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H27N3O4S/c1-2-25-17(22)15-13-5-3-4-6-14(13)26-16(15)20-18(23)19-7-8-21-9-11-24-12-10-21/h2-12H2,1H3,(H2,19,20,23)/p+1