ethyl 3-(6-chloranyl-2-thiophen-2-yl-quinolin-4-yl)-2-(dibutylamino)-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(6-chloranyl-2-thiophen-2-yl-quinolin-4-yl)-2-(dibutylamino)-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[6-chloro-2-(2-thienyl)-4-quinolyl]-2-(dibutylamino)-3-oxo-propanoate CAS Name: 3-(6-chloro-2-thiophen-2-yl-4-quinolinyl)-2-(dibutylamino)-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(6-chloro-2-thiophen-2-ylquinolin-4-yl)-2-(dibutylamino)-3-oxopropanoate Traditional Name: 3-[6-chloro-2-(2-thienyl)-4-quinolyl]-2-(dibutylamino)-3-keto-propionic acid ethyl ester Formula: C26H31ClN2O3S MolecularWeight: 487.05394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(C(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=CS3)C(=O)OCC

Isomeric SMILES

CCCCN(CCCC)C(C(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC=CS3)C(=O)OCC

InChI

InChI=1S/C26H31ClN2O3S/c1-4-7-13-29(14-8-5-2)24(26(31)32-6-3)25(30)20-17-22(23-10-9-15-33-23)28-21-12-11-18(27)16-19(20)21/h9-12,15-17,24H,4-8,13-14H2,1-3H3