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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CC=CC=N5

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CC=CC=N5

InChI

InChI=1S/C28H26ClN3O3S/c1-3-14-35-28(34)24-18-8-4-5-10-23(18)36-27(24)32-26(33)19-15-22(21-9-6-7-13-30-21)31-25-16(2)20(29)12-11-17(19)25/h6-7,9,11-13,15H,3-5,8,10,14H2,1-2H3,(H,32,33)