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

Systemtic Name: ethyl 2-[2-(2-nitropyridin-3-yl)oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S/c1-2-26-18(23)15-11-6-3-4-8-13(11)28-17(15)20-14(22)10-27-12-7-5-9-19-16(12)21(24)25/h5,7,9H,2-4,6,8,10H2,1H3,(H,20,22)