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

Systemtic Name: pentyl 4-[(6,8-dimethyl-2-thiophen-2-yl-quinolin-4-yl)carbonylamino]benzoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O3S/c1-4-5-6-13-33-28(32)20-9-11-21(12-10-20)29-27(31)23-17-24(25-8-7-14-34-25)30-26-19(3)15-18(2)16-22(23)26/h7-12,14-17H,4-6,13H2,1-3H3,(H,29,31)