methyl 5-[(E)-2-(4-bromophenyl)sulfonyl-2-cyano-ethenyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[(E)-2-(4-bromophenyl)sulfonyl-2-cyano-ethenyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(E)-2-(4-bromophenyl)sulfonyl-2-cyano-vinyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[(E)-2-(4-bromophenyl)sulfonyl-2-cyanoethenyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-2-(4-bromophenyl)sulfonyl-2-cyanoethenyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(E)-2-brosyl-2-cyano-vinyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C16H12BrNO5S MolecularWeight: 410.23918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C16H12BrNO5S/c1-10-15(16(19)22-2)8-12(23-10)7-14(9-18)24(20,21)13-5-3-11(17)4-6-13/h3-8H,1-2H3/b14-7+