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

Systemtic Name: ethyl 2-[(8-chloranyl-2-phenyl-quinolin-4-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(8-chloro-2-phenyl-quinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(8-chloro-2-phenyl-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-phenylquinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(8-chloro-2-phenyl-quinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H27ClN2O3S MolecularWeight: 519.05428

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H27ClN2O3S/c1-3-17-13-14-20-24(15-17)36-28(25(20)29(34)35-4-2)32-27(33)21-16-23(18-9-6-5-7-10-18)31-26-19(21)11-8-12-22(26)30/h5-12,16-17H,3-4,13-15H2,1-2H3,(H,32,33)