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

Systemtic Name: methyl 2-[[2-(2-methylphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(o-tolyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(2-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(o-tolyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC

InChI

InChI=1S/C27H24N2O3S/c1-16-9-3-4-10-17(16)22-15-20(18-11-5-7-13-21(18)28-22)25(30)29-26-24(27(31)32-2)19-12-6-8-14-23(19)33-26/h3-5,7,9-11,13,15H,6,8,12,14H2,1-2H3,(H,29,30)