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

Systemtic Name: ethyl (5Z)-2-benzamido-5-[[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-4-oxidanylidene-thiophene-3-carboxylate Openeye Name: ethyl (5Z)-2-benzamido-5-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylene]-4-oxo-thiophene-3-carboxylate CAS Name: (5Z)-2-benzamido-5-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-2-benzamido-5-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-4-oxothiophene-3-carboxylate Traditional Name: (5Z)-2-benzamido-5-[3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzylidene]-4-keto-thiophene-3-carboxylic acid ethyl ester Formula: C30H25BrFNO6S MolecularWeight: 626.490003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)OCC)Br)OCC4=CC=CC=C4F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)OCC)Br)OCC4=CC=CC=C4F

InChI

InChI=1S/C30H25BrFNO6S/c1-3-37-23-15-18(14-21(31)27(23)39-17-20-12-8-9-13-22(20)32)16-24-26(34)25(30(36)38-4-2)29(40-24)33-28(35)19-10-6-5-7-11-19/h5-16H,3-4,17H2,1-2H3,(H,33,35)/b24-16-