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

Systemtic Name: ethyl 6-tert-butyl-2-[[2-(3-propoxyphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[[2-(3-propoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[oxo-[2-(3-propoxyphenyl)-4-quinolinyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[[2-(3-propoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[[2-(3-propoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C34H38N2O4S MolecularWeight: 570.74152

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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)C(C)(C)C)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C34H38N2O4S/c1-6-17-40-23-12-10-11-21(18-23)28-20-26(24-13-8-9-14-27(24)35-28)31(37)36-32-30(33(38)39-7-2)25-16-15-22(34(3,4)5)19-29(25)41-32/h8-14,18,20,22H,6-7,15-17,19H2,1-5H3,(H,36,37)