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

Systemtic Name: butyl 4-[(6,8-dimethyl-2-thiophen-2-yl-quinolin-4-yl)carbonylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=CS4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=CS4

InChI

InChI=1S/C27H26N2O3S/c1-4-5-12-32-27(31)19-8-10-20(11-9-19)28-26(30)22-16-23(24-7-6-13-33-24)29-25-18(3)14-17(2)15-21(22)25/h6-11,13-16H,4-5,12H2,1-3H3,(H,28,30)