N-(4-methoxyphenyl)-2-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-2-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-methoxyphenyl)-2-[[2-(5-nitro-2-oxo-1-pyridyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-methoxyphenyl)-2-[[2-(5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-methoxyphenyl)-2-[[2-(5-nitro-2-oxopyridin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(2-keto-5-nitro-1-pyridyl)acetyl]amino]-N-(4-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H22N4O6S MolecularWeight: 482.50898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CN4C=C(C=CC4=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CN4C=C(C=CC4=O)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O6S/c1-33-16-9-6-14(7-10-16)24-22(30)21-17-4-2-3-5-18(17)34-23(21)25-19(28)13-26-12-15(27(31)32)8-11-20(26)29/h6-12H,2-5,13H2,1H3,(H,24,30)(H,25,28)