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

Systemtic Name: ethyl 2-[(8-chloranyl-2-pyridin-2-yl-quinolin-4-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[8-chloro-2-(2-pyridyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[8-chloro-2-(2-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(8-chloro-2-pyridin-2-ylquinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[8-chloro-2-(2-pyridyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H26ClN3O3S MolecularWeight: 520.04234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=CC=N5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=CC=N5

InChI

InChI=1S/C28H26ClN3O3S/c1-3-16-11-12-18-23(14-16)36-27(24(18)28(34)35-4-2)32-26(33)19-15-22(21-10-5-6-13-30-21)31-25-17(19)8-7-9-20(25)29/h5-10,13,15-16H,3-4,11-12,14H2,1-2H3,(H,32,33)