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

Systemtic Name: ethyl 2-[(7-chloranyl-8-methyl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[7-chloro-8-methyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[7-chloro-8-methyl-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(7-chloro-8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[7-chloro-8-methyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H28ClN3O3S MolecularWeight: 534.06892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CN=CC=C5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CN=CC=C5

InChI

InChI=1S/C29H28ClN3O3S/c1-4-17-8-9-20-24(13-17)37-28(25(20)29(35)36-5-2)33-27(34)21-14-23(18-7-6-12-31-15-18)32-26-16(3)22(30)11-10-19(21)26/h6-7,10-12,14-15,17H,4-5,8-9,13H2,1-3H3,(H,33,34)