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

Systemtic Name: butan-2-yl 2-[[2-(1-methylpyrazol-4-yl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 2-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(1-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-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid sec-butyl ester Formula: C27H28N4O3S MolecularWeight: 488.60122

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O3S/c1-4-16(2)34-27(33)24-19-10-6-8-12-23(19)35-26(24)30-25(32)20-13-22(17-14-28-31(3)15-17)29-21-11-7-5-9-18(20)21/h5,7,9,11,13-16H,4,6,8,10,12H2,1-3H3,(H,30,32)