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

Systemtic Name: ethyl 2-[[2-(1-ethyl-5-methyl-pyrazol-4-yl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(1-ethyl-5-methyl-4-pyrazolyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OCC)C

InChI

InChI=1S/C27H28N4O3S/c1-4-31-16(3)20(15-28-31)22-14-19(17-10-6-8-12-21(17)29-22)25(32)30-26-24(27(33)34-5-2)18-11-7-9-13-23(18)35-26/h6,8,10,12,14-15H,4-5,7,9,11,13H2,1-3H3,(H,30,32)