2-methylpropyl 4-[(6,8-dimethyl-2-thiophen-2-yl-quinolin-4-yl)carbonylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[(6,8-dimethyl-2-thiophen-2-yl-quinolin-4-yl)carbonylamino]benzoate Openeye Name: isobutyl 4-[[6,8-dimethyl-2-(2-thienyl)quinoline-4-carbonyl]amino]benzoate CAS Name: 4-[[(6,8-dimethyl-2-thiophen-2-yl-4-quinolinyl)-oxomethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(6,8-dimethyl-2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate Traditional Name: 4-[[6,8-dimethyl-2-(2-thienyl)quinoline-4-carbonyl]amino]benzoic acid isobutyl ester Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)C(=O)OCC(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)C(=O)OCC(C)C)C

InChI

InChI=1S/C27H26N2O3S/c1-16(2)15-32-27(31)19-7-9-20(10-8-19)28-26(30)22-14-23(24-6-5-11-33-24)29-25-18(4)12-17(3)13-21(22)25/h5-14,16H,15H2,1-4H3,(H,28,30)