ethyl 3-[[2-(5-bromanylthiophen-2-yl)quinolin-4-yl]carbonylamino]-3-(4-ethoxy-3-methoxy-phenyl)propanoate

Systemtic Name: ethyl 3-[[2-(5-bromanylthiophen-2-yl)quinolin-4-yl]carbonylamino]-3-(4-ethoxy-3-methoxy-phenyl)propanoate Openeye Name: ethyl 3-[[2-(5-bromo-2-thienyl)quinoline-4-carbonyl]amino]-3-(4-ethoxy-3-methoxy-phenyl)propanoate CAS Name: 3-[[[2-(5-bromo-2-thiophenyl)-4-quinolinyl]-oxomethyl]amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(5-bromothiophen-2-yl)quinoline-4-carbonyl]amino]-3-(4-ethoxy-3-methoxyphenyl)propanoate Traditional Name: 3-[[2-(5-bromo-2-thienyl)quinoline-4-carbonyl]amino]-3-(4-ethoxy-3-methoxy-phenyl)propionic acid ethyl ester Formula: C28H27BrN2O5S MolecularWeight: 583.49338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)OCC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(=O)OCC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Br)OC

InChI

InChI=1S/C28H27BrN2O5S/c1-4-35-23-11-10-17(14-24(23)34-3)21(16-27(32)36-5-2)31-28(33)19-15-22(25-12-13-26(29)37-25)30-20-9-7-6-8-18(19)20/h6-15,21H,4-5,16H2,1-3H3,(H,31,33)