ethyl 2-[(6,8-dimethyl-2-pyridin-4-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(6,8-dimethyl-2-pyridin-4-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[6,8-dimethyl-2-(4-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(6,8-dimethyl-2-pyridin-4-yl-4-quinolinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6,8-dimethyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6,8-dimethyl-2-(4-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C(C=C(C=C34)C)C)C5=CC=NC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C(C=C(C=C34)C)C)C5=CC=NC=C5

InChI

InChI=1S/C28H27N3O3S/c1-4-34-28(33)24-19-7-5-6-8-23(19)35-27(24)31-26(32)21-15-22(18-9-11-29-12-10-18)30-25-17(3)13-16(2)14-20(21)25/h9-15H,4-8H2,1-3H3,(H,31,32)