propan-2-yl 2-[[(E)-3-(2-bromanyl-4,5-diethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-3-(2-bromanyl-4,5-diethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-3-(2-bromo-4,5-diethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(2-bromo-4,5-diethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-3-(2-bromo-4,5-diethoxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(2-bromo-4,5-diethoxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C22H23BrN2O5S MolecularWeight: 507.39742

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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)OC(C)C)Br)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O5S/c1-5-28-18-10-14(17(23)11-19(18)29-6-2)9-15(12-24)20(26)25-21-16(7-8-31-21)22(27)30-13(3)4/h7-11,13H,5-6H2,1-4H3,(H,25,26)/b15-9+