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

Systemtic Name: methyl 6-phenyl-2-[[2-(4-propan-2-ylphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-isopropylphenyl)quinoline-4-carbonyl]amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[2-(4-propan-2-ylphenyl)-4-quinolinyl]methyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-phenyl-2-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-p-cumenylquinoline-4-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C35H32N2O3S MolecularWeight: 560.70518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C6=CC=CC=C6)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C6=CC=CC=C6)C(=O)OC

InChI

InChI=1S/C35H32N2O3S/c1-21(2)22-13-15-24(16-14-22)30-20-28(26-11-7-8-12-29(26)36-30)33(38)37-34-32(35(39)40-3)27-18-17-25(19-31(27)41-34)23-9-5-4-6-10-23/h4-16,20-21,25H,17-19H2,1-3H3,(H,37,38)