methyl (E)-3-(4-bromanylthiophen-2-yl)-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-(4-bromanylthiophen-2-yl)-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-(4-bromo-2-thienyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-bromo-2-thiophenyl)-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(4-bromothiophen-2-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-bromo-2-thienyl)-2-cyano-acrylic acid methyl ester Formula: C9H6BrNO2S MolecularWeight: 272.11844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC(=CS1)Br)C#N

Isomeric SMILES

COC(=O)/C(=C/C1=CC(=CS1)Br)/C#N

InChI

InChI=1S/C9H6BrNO2S/c1-13-9(12)6(4-11)2-8-3-7(10)5-14-8/h2-3,5H,1H3/b6-2+