ethyl 2-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[2-(4-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-p-phenetylquinoline-4-carbonyl)amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C29H24N2O4S MolecularWeight: 496.57686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=CC=CC=C5S4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=CC=CC=C5S4)C(=O)OCC

InChI

InChI=1S/C29H24N2O4S/c1-3-34-19-15-13-18(14-16-19)24-17-22(20-9-5-7-11-23(20)30-24)27(32)31-28-26(29(33)35-4-2)21-10-6-8-12-25(21)36-28/h5-17H,3-4H2,1-2H3,(H,31,32)