ethyl 2-[(7-chloranyl-8-methyl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(7-chloranyl-8-methyl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[7-chloro-8-methyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[7-chloro-8-methyl-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(7-chloro-8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[7-chloro-8-methyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C26H22ClN3O3S MolecularWeight: 491.98918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CN=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CN=CC=C5

InChI

InChI=1S/C26H22ClN3O3S/c1-3-33-26(32)22-17-7-4-8-21(17)34-25(22)30-24(31)18-12-20(15-6-5-11-28-13-15)29-23-14(2)19(27)10-9-16(18)23/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,30,31)