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

Systemtic Name: ethyl 2-[[(E)-3-(3-bromanyl-4,5-diethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(3-bromo-4,5-diethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-bromo-4,5-diethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(3-bromo-4,5-diethoxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-bromo-4,5-diethoxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21BrN2O5S MolecularWeight: 493.37084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O5S/c1-4-27-17-11-13(10-16(22)18(17)28-5-2)9-14(12-23)19(25)24-20-15(7-8-30-20)21(26)29-6-3/h7-11H,4-6H2,1-3H3,(H,24,25)/b14-9+