methyl 2-[[(E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C18H15BrN2O5S MolecularWeight: 451.2911

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC)Br)OC

InChI

InChI=1S/C18H15BrN2O5S/c1-24-14-7-10(13(19)8-15(14)25-2)6-11(9-20)16(22)21-17-12(4-5-27-17)18(23)26-3/h4-8H,1-3H3,(H,21,22)/b11-6+