ethyl (5Z)-2-benzamido-5-[[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylidene]-4-oxidanylidene-thiophene-3-carboxylate

Systemtic Name: ethyl (5Z)-2-benzamido-5-[[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylidene]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5Z)-2-benzamido-5-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylene]-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-2-benzamido-5-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-2-benzamido-5-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-2-benzamido-5-[3-bromo-4-(2-fluorobenzyl)oxy-5-methoxy-benzylidene]-4-keto-thiophene-3-carboxylic acid ethyl ester Formula: C29H23BrFNO6S MolecularWeight: 612.463423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3F)OC)C1=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C\C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3F)OC)/C1=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H23BrFNO6S/c1-3-37-29(35)24-25(33)23(39-28(24)32-27(34)18-9-5-4-6-10-18)15-17-13-20(30)26(22(14-17)36-2)38-16-19-11-7-8-12-21(19)31/h4-15H,3,16H2,1-2H3,(H,32,34)/b23-15-