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

Systemtic Name: propyl 2-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C18H21N5O7S MolecularWeight: 451.45364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O7S/c1-3-8-30-18(25)14-11-6-4-5-7-12(11)31-17(14)19-13(24)9-21-10(2)15(22(26)27)16(20-21)23(28)29/h3-9H2,1-2H3,(H,19,24)