butan-2-yl 2-[[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: butan-2-yl 2-[[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 2-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[1-(1-pyrazolylmethyl)-3-pyrazolyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid sec-butyl ester Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3)CN4C=CC=N4

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3)CN4C=CC=N4

InChI

InChI=1S/C21H25N5O3S/c1-3-14(2)29-21(28)18-15-7-4-5-8-17(15)30-20(18)23-19(27)16-9-12-26(24-16)13-25-11-6-10-22-25/h6,9-12,14H,3-5,7-8,13H2,1-2H3,(H,23,27)