ethyl 2-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(6-bromo-2-oxo-chromene-3-carbonyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-keto-chromene-3-carbonyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H20BrNO5S MolecularWeight: 526.399

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C25H20BrNO5S/c1-3-14-5-7-15(8-6-14)19-13-33-23(21(19)25(30)31-4-2)27-22(28)18-12-16-11-17(26)9-10-20(16)32-24(18)29/h5-13H,3-4H2,1-2H3,(H,27,28)