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

Systemtic Name: ethyl 2-[[3-methyl-2-(4-methylphenyl)quinolin-4-yl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[3-methyl-2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[3-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C30H30N2O3S MolecularWeight: 498.6358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N2O3S/c1-4-35-30(34)26-22-11-6-5-7-13-24(22)36-29(26)32-28(33)25-19(3)27(20-16-14-18(2)15-17-20)31-23-12-9-8-10-21(23)25/h8-10,12,14-17H,4-7,11,13H2,1-3H3,(H,32,33)