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

Systemtic Name: ethyl 2-[[2-(4-methoxyphenyl)-3-methyl-quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methoxyphenyl)-3-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(4-methoxyphenyl)-3-methyl-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methoxyphenyl)-3-methylquinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-methoxyphenyl)-3-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H28N2O4S MolecularWeight: 500.60862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C29H28N2O4S/c1-4-35-29(33)25-21-10-6-8-12-23(21)36-28(25)31-27(32)24-17(2)26(18-13-15-19(34-3)16-14-18)30-22-11-7-5-9-20(22)24/h5,7,9,11,13-16H,4,6,8,10,12H2,1-3H3,(H,31,32)