methyl 2-[2-(2-nitropyridin-3-yl)oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-nitropyridin-3-yl)oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(2-nitro-3-pyridyl)oxy]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(2-nitro-3-pyridinyl)oxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-nitropyridin-3-yl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(2-nitro-3-pyridyl)oxy]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6S/c1-25-17(22)14-10-5-2-3-7-12(10)27-16(14)19-13(21)9-26-11-6-4-8-18-15(11)20(23)24/h4,6,8H,2-3,5,7,9H2,1H3,(H,19,21)