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

Systemtic Name: methyl 6-ethyl-2-[[2-(2-methylphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-ethyl-2-[[2-(o-tolyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-[[[2-(2-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-ethyl-2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[[2-(o-tolyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5C

InChI

InChI=1S/C29H28N2O3S/c1-4-18-13-14-21-25(15-18)35-28(26(21)29(33)34-3)31-27(32)22-16-24(19-10-6-5-9-17(19)2)30-23-12-8-7-11-20(22)23/h5-12,16,18H,4,13-15H2,1-3H3,(H,31,32)