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

Systemtic Name: butan-2-yl 2-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 2-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(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-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid sec-butyl ester Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N4O5S/c1-5-12(3)29-20(26)17-14-8-6-7-9-15(14)30-19(17)21-18(25)13(4)23-11(2)10-16(22-23)24(27)28/h10,12-13H,5-9H2,1-4H3,(H,21,25)