(E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-thiophen-2-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-thiophen-2-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-(thiophene-2-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-[oxo(thiophen-2-yl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-(thiophene-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-(2-thenoyl)acrylonitrile Formula: C16H12BrNO3S MolecularWeight: 378.24038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)C2=CC=CS2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)C2=CC=CS2)Br)OC

InChI

InChI=1S/C16H12BrNO3S/c1-20-13-7-10(12(17)8-14(13)21-2)6-11(9-18)16(19)15-4-3-5-22-15/h3-8H,1-2H3/b11-6+