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

Systemtic Name: methyl 2-[[3-methyl-2-(4-methylphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[3-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[3-methyl-2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C28H26N2O3S MolecularWeight: 470.58264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC

InChI

InChI=1S/C28H26N2O3S/c1-16-12-14-18(15-13-16)25-17(2)23(19-8-4-6-10-21(19)29-25)26(31)30-27-24(28(32)33-3)20-9-5-7-11-22(20)34-27/h4,6,8,10,12-15H,5,7,9,11H2,1-3H3,(H,30,31)