ethyl 2-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(5-methyl-3,4-dinitro-1-pyrazolyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-methyl-3,4-dinitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H19N5O7S MolecularWeight: 437.42706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C17H19N5O7S/c1-3-29-17(24)13-10-6-4-5-7-11(10)30-16(13)18-12(23)8-20-9(2)14(21(25)26)15(19-20)22(27)28/h3-8H2,1-2H3,(H,18,23)