butyl 4-[(7-chloranyl-8-methyl-2-thiophen-2-yl-quinolin-4-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(7-chloranyl-8-methyl-2-thiophen-2-yl-quinolin-4-yl)carbonylamino]benzoate Openeye Name: butyl 4-[[7-chloro-8-methyl-2-(2-thienyl)quinoline-4-carbonyl]amino]benzoate CAS Name: 4-[[(7-chloro-8-methyl-2-thiophen-2-yl-4-quinolinyl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(7-chloro-8-methyl-2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate Traditional Name: 4-[[7-chloro-8-methyl-2-(2-thienyl)quinoline-4-carbonyl]amino]benzoic acid butyl ester Formula: C26H23ClN2O3S MolecularWeight: 478.99042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C4=CC=CS4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C4=CC=CS4

InChI

InChI=1S/C26H23ClN2O3S/c1-3-4-13-32-26(31)17-7-9-18(10-8-17)28-25(30)20-15-22(23-6-5-14-33-23)29-24-16(2)21(27)12-11-19(20)24/h5-12,14-15H,3-4,13H2,1-2H3,(H,28,30)