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

Systemtic Name: ethyl 6-tert-butyl-2-[[2-(3-methylphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[[2-(m-tolyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[[2-(3-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[[2-(m-tolyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C32H34N2O3S MolecularWeight: 526.68896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)C

InChI

InChI=1S/C32H34N2O3S/c1-6-37-31(36)28-23-15-14-21(32(3,4)5)17-27(23)38-30(28)34-29(35)24-18-26(20-11-9-10-19(2)16-20)33-25-13-8-7-12-22(24)25/h7-13,16,18,21H,6,14-15,17H2,1-5H3,(H,34,35)