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

Systemtic Name: ethyl 2-[[2-(4-propan-2-yloxyphenyl)quinolin-4-yl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-isopropoxyphenyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[oxo-[2-(4-propan-2-yloxyphenyl)-4-quinolinyl]methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-isopropoxyphenyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C31H32N2O4S MolecularWeight: 528.66178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H32N2O4S/c1-4-36-31(35)28-23-11-6-5-7-13-27(23)38-30(28)33-29(34)24-18-26(32-25-12-9-8-10-22(24)25)20-14-16-21(17-15-20)37-19(2)3/h8-10,12,14-19H,4-7,11,13H2,1-3H3,(H,33,34)