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

Systemtic Name: ethyl 2-[[2-(2-ethoxyphenyl)quinolin-4-yl]carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(2-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[(2-o-phenetylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C31H32N2O4S MolecularWeight: 528.66178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5OCC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5OCC

InChI

InChI=1S/C31H32N2O4S/c1-4-19-15-16-22-27(17-19)38-30(28(22)31(35)37-6-3)33-29(34)23-18-25(32-24-13-9-7-11-20(23)24)21-12-8-10-14-26(21)36-5-2/h7-14,18-19H,4-6,15-17H2,1-3H3,(H,33,34)