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

Systemtic Name: propyl 2-[(8-chloranyl-2-pyridin-2-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[[8-chloro-2-(2-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[8-chloro-2-(2-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[(8-chloro-2-pyridin-2-ylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[8-chloro-2-(2-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C27H24ClN3O3S MolecularWeight: 506.01576

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=CC=N5

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=CC=N5

InChI

InChI=1S/C27H24ClN3O3S/c1-2-14-34-27(33)23-17-8-3-4-12-22(17)35-26(23)31-25(32)18-15-21(20-11-5-6-13-29-20)30-24-16(18)9-7-10-19(24)28/h5-7,9-11,13,15H,2-4,8,12,14H2,1H3,(H,31,32)