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

Systemtic Name: ethyl 6-phenyl-2-[[2-(3-propoxyphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-phenyl-2-[[2-(3-propoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[2-(3-propoxyphenyl)-4-quinolinyl]methyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-phenyl-2-[[2-(3-propoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-phenyl-2-[[2-(3-propoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C36H34N2O4S MolecularWeight: 590.73116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C6=CC=CC=C6)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C6=CC=CC=C6)C(=O)OCC

InChI

InChI=1S/C36H34N2O4S/c1-3-19-42-26-14-10-13-25(20-26)31-22-29(27-15-8-9-16-30(27)37-31)34(39)38-35-33(36(40)41-4-2)28-18-17-24(21-32(28)43-35)23-11-6-5-7-12-23/h5-16,20,22,24H,3-4,17-19,21H2,1-2H3,(H,38,39)