ethyl 2-[[2-(3-chlorophenyl)-3-methyl-quinolin-4-yl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(3-chlorophenyl)-3-methyl-quinolin-4-yl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-chlorophenyl)-3-methyl-quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[2-(3-chlorophenyl)-3-methyl-4-quinolinyl]-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(3-chlorophenyl)-3-methyl-quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C29H27ClN2O3S MolecularWeight: 519.05428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC(=CC=C5)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC(=CC=C5)Cl)C

InChI

InChI=1S/C29H27ClN2O3S/c1-3-35-29(34)25-21-13-5-4-6-15-23(21)36-28(25)32-27(33)24-17(2)26(18-10-9-11-19(30)16-18)31-22-14-8-7-12-20(22)24/h7-12,14,16H,3-6,13,15H2,1-2H3,(H,32,33)