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

Systemtic Name: propyl 2-[[2-(4-ethylphenyl)quinolin-4-yl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: propyl 2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[2-(4-ethylphenyl)-4-quinolinyl]-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester Formula: C31H32N2O3S MolecularWeight: 512.66238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H32N2O3S/c1-3-18-36-31(35)28-23-11-6-5-7-13-27(23)37-30(28)33-29(34)24-19-26(21-16-14-20(4-2)15-17-21)32-25-12-9-8-10-22(24)25/h8-10,12,14-17,19H,3-7,11,13,18H2,1-2H3,(H,33,34)