[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl] 2-(pyridin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl] 2-(pyridin-3-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo(3-pyridinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-nicotinamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-(2-ketoimidazolidin-1-yl)ethyl] ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN=CC=C3)C(=O)OCC(=O)N4CCNC4=O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN=CC=C3)C(=O)OCC(=O)N4CCNC4=O

InChI

InChI=1S/C20H20N4O5S/c25-15(24-9-8-22-20(24)28)11-29-19(27)16-13-5-1-2-6-14(13)30-18(16)23-17(26)12-4-3-7-21-10-12/h3-4,7,10H,1-2,5-6,8-9,11H2,(H,22,28)(H,23,26)