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

Systemtic Name: butan-2-yl 2-[[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 2-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(1-ethyl-4-pyrazolyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid sec-butyl ester Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN(N=C5)CC

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN(N=C5)CC

InChI

InChI=1S/C28H30N4O3S/c1-4-17(3)35-28(34)25-20-11-7-9-13-24(20)36-27(25)31-26(33)21-14-23(18-15-29-32(5-2)16-18)30-22-12-8-6-10-19(21)22/h6,8,10,12,14-17H,4-5,7,9,11,13H2,1-3H3,(H,31,33)