ethyl 2-[[(E)-3-(2-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(2-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(2-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(2-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(2-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(2-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H17BrN2O5S MolecularWeight: 465.31768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OCC)Br)O

Isomeric SMILES

CCOC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OCC)Br)O

InChI

InChI=1S/C19H17BrN2O5S/c1-3-26-16-8-11(14(20)9-15(16)23)7-12(10-21)17(24)22-18-13(5-6-28-18)19(25)27-4-2/h5-9,23H,3-4H2,1-2H3,(H,22,24)/b12-7+