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

Systemtic Name: butan-2-yl 2-[[2-(1-ethyl-3-methyl-pyrazol-4-yl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 2-[[2-(1-ethyl-3-methyl-pyrazol-4-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(1-ethyl-3-methyl-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-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(1-ethyl-3-methyl-pyrazol-4-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid sec-butyl ester Formula: C29H32N4O3S MolecularWeight: 516.65438

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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=C5C)CC

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN(N=C5C)CC

InChI

InChI=1S/C29H32N4O3S/c1-5-17(3)36-29(35)26-20-12-8-10-14-25(20)37-28(26)31-27(34)21-15-24(22-16-33(6-2)32-18(22)4)30-23-13-9-7-11-19(21)23/h7,9,11,13,15-17H,5-6,8,10,12,14H2,1-4H3,(H,31,34)