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

Systemtic Name: butan-2-yl 2-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 2-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-methyl-3-(5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[[2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid sec-butyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O5S/c1-5-14(4)30-21(27)18-15-8-6-7-9-16(15)31-20(18)22-19(26)12(2)11-24-13(3)10-17(23-24)25(28)29/h10,12,14H,5-9,11H2,1-4H3,(H,22,26)