ethyl 2-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(6-bromo-2-phenyl-quinoline-4-carbonyl)amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-phenyl-4-quinolinyl)-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-bromo-2-phenylquinoline-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-phenyl-quinoline-4-carbonyl)amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H21BrN2O3S MolecularWeight: 509.41484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C25H21BrN2O3S/c1-3-17-13-20(25(30)31-4-2)24(32-17)28-23(29)19-14-22(15-8-6-5-7-9-15)27-21-11-10-16(26)12-18(19)21/h5-14H,3-4H2,1-2H3,(H,28,29)