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

Systemtic Name: ethyl 2-[[2-(1-methylpyrazol-4-yl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H24N4O3S MolecularWeight: 460.54806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O3S/c1-3-32-25(31)22-17-9-5-7-11-21(17)33-24(22)28-23(30)18-12-20(15-13-26-29(2)14-15)27-19-10-6-4-8-16(18)19/h4,6,8,10,12-14H,3,5,7,9,11H2,1-2H3,(H,28,30)