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

Systemtic Name: ethyl 2-[[(E)-3-(5-bromanyl-2-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(5-bromo-2-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-ethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(5-bromo-2-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-ethoxy-phenyl)-2-cyano-acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OCC

InChI

InChI=1S/C22H23BrN2O4S/c1-5-28-18-8-7-16(23)10-14(18)9-15(12-24)20(26)25-21-17(22(27)29-6-2)11-19(30-21)13(3)4/h7-11,13H,5-6H2,1-4H3,(H,25,26)/b15-9+