(E)-N-[4-bromanyl-2-(2-chlorophenyl)carbonyl-phenyl]-2-oxidanylidene-4-thiophen-2-yl-but-3-enamide

Systemtic Name: (E)-N-[4-bromanyl-2-(2-chlorophenyl)carbonyl-phenyl]-2-oxidanylidene-4-thiophen-2-yl-but-3-enamide Openeye Name: (E)-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-oxo-4-(2-thienyl)but-3-enamide CAS Name: (E)-N-[4-bromo-2-[(2-chlorophenyl)-oxomethyl]phenyl]-2-oxo-4-thiophen-2-yl-3-butenamide IUPAC Name: (E)-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-oxo-4-thiophen-2-ylbut-3-enamide Traditional Name: (E)-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-keto-4-(2-thienyl)but-3-enamide Formula: C21H13BrClNO3S MolecularWeight: 474.75482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)C(=O)C=CC3=CC=CS3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)C(=O)/C=C/C3=CC=CS3)Cl

InChI

InChI=1S/C21H13BrClNO3S/c22-13-7-9-18(16(12-13)20(26)15-5-1-2-6-17(15)23)24-21(27)19(25)10-8-14-4-3-11-28-14/h1-12H,(H,24,27)/b10-8+