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

Systemtic Name: ethyl 2-[[(E)-3-(4-acetyloxy-2-bromanyl-5-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-acetoxy-2-bromo-5-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-acetyloxy-2-bromo-5-ethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-acetyloxy-2-bromo-5-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-acetoxy-2-bromo-5-ethoxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H19BrN2O6S MolecularWeight: 507.35436

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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)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O6S/c1-4-28-17-9-13(16(22)10-18(17)30-12(3)25)8-14(11-23)19(26)24-20-15(6-7-31-20)21(27)29-5-2/h6-10H,4-5H2,1-3H3,(H,24,26)/b14-8+