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

Systemtic Name: butan-2-yl 2-[2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 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 butan-2-yl ester IUPAC Name: butan-2-yl 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 sec-butyl ester Formula: C19H23N5O7S MolecularWeight: 465.48022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O7S/c1-4-10(2)31-19(26)15-12-7-5-6-8-13(12)32-18(15)20-14(25)9-22-11(3)16(23(27)28)17(21-22)24(29)30/h10H,4-9H2,1-3H3,(H,20,25)